SCHEMBL6580853

SCHEMBL6580853

NNC(=O)c1cccc(OC(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
RAB9A P51151 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HTT P42858 1/20 0.56
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.52
PRMT5 O14744 1/20 0.51

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
Hydrochloric Acid SCHEMBL20166696 0.98 KMT2A (0.59) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL14095070 0.85 ALDH1A1 (0.56) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL14880293 0.85 ALOX15 (0.67) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL7238448 0.84 MAPT (0.55) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL17662852 0.83 KMT2A (0.61) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL13753982 0.83 POLB (0.58) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL679553 0.82 KAT6A (0.58) KMT2AALDH1A1GAAKDM4EHDAC3
SCHEMBL31180472 0.82 KAT6A (0.58) KMT2AALDH1A1GAAKDM4EHDAC3
SCHEMBL2762181 0.81 PARP1 (0.62) KMT2AMEN1RAB9ANPSR1MAPT
SCHEMBL116669 0.81 GFER (0.71) KMT2AMEN1RAB9AMAPTLMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 US disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP 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 (4 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R KMT2A 3930/4885MEN1 4636/4885RAB9A 1186/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 KMT2A 4180/4885MEN1 2634/4885RAB9A 2177/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R KMT2A 3930/4885MEN1 4636/4885RAB9A 1186/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT KMT2A 3672/4885MEN1 2737/4885RAB9A 1162/4885

“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.