SCHEMBL982086

SCHEMBL982086

CCNc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.48
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCAR3 P49019 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PSIP1 O75475 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
CASP7 P55210 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3146630 0.88 KAT2B (0.50) KAT2BMAPTALDH1A1TDP1HCAR3
SCHEMBL17819079 0.83 KAT2B (0.56) KAT2BMAPTALDH1A1TDP1HCAR3
SCHEMBL1855978 0.82 ALDH1A1 (0.45) KAT2BMAPTALDH1A1TDP1HCAR3
SCHEMBL16831412 0.81 KAT2B (0.64) KAT2BMAPTALDH1A1TDP1HCAR3
SCHEMBL20797692 0.81 KAT2B (0.47) KAT2BMAPTALDH1A1TDP1LMNA
SCHEMBL22325730 0.81 ALDH1A1 (0.44) KAT2BMAPTALDH1A1TDP1HCAR3
SCHEMBL30870550 0.81 KAT2B (0.43) KAT2BMAPTALDH1A1TDP1LMNA
SCHEMBL2552051 0.80 LMNA (0.52) KAT2BMAPTALDH1A1TDP1HCAR3
SCHEMBL18322365 0.80 KAT2B (0.44) KAT2BMAPTALDH1A1TDP1HCAR3
SCHEMBL18340899 0.80 KAT2B (0.44) KAT2BMAPTALDH1A1TDP1HCAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
EP-3555078-B1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-03-27 EP disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
US-11608335-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-03-21 US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
CN-101277933-A Substituted propylamine derivatives and methods of their use WYETH CORP (US) 2008-10-01 CN disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
CN-1960973-A 1-(1h-indol-1-yl)-3-(4-methylpiperazin-1-yl)-1-phenyl propan-2-ol derivatives and related compounds as modulators of the norepinephrine(NE) and the serotonine(5-HT) activity and the monoamine reuptake WYETH CORP (US) 2007-05-09 CN disclosed
WO-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 WO disclosed
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one WYETH (US) 2007-03-29 US disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072928-A1 treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms, sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders; 1'-[3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one TPH1, HTR1A, HTR5A KAT2B 3262/4885MAPT 3378/4885ALDH1A1 252/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT KAT2B 3710/4885MAPT 2326/4885ALDH1A1 284/4885
US-11608335-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 KAT2B 4405/4885MAPT 3109/4885ALDH1A1 4626/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 KAT2B 1535/4885MAPT 2064/4885ALDH1A1 621/4885
US-11117905-B2 Bisaryl heterocycles as NRF2 activators NFE2L2, KEAP1, NQO1 KAT2B 1009/4885MAPT 3102/4885ALDH1A1 423/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT KAT2B 3710/4885MAPT 2326/4885ALDH1A1 284/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.