Sugi Predict

Sugi Predict / Compounds / SCHEMBL3649852

SCHEMBL3649852

SCHEMBL3649852

Nc1ccc(OC(F)F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 10/20 0.44
▸ MEN1 O00255 10/20 0.44
▸ KMT2A Q03164 10/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ HTT P42858 8/20 0.43
▸ LMNA P02545 7/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTR1E P28566 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL17502319 0.84 CYP3A4 (0.46) CYP3A4TSHRMEN1KMT2ACA1
SCHEMBL3126016 0.81 GAA (0.41) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4964188 0.80 ALDH1A1 (0.45) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL2103199 0.80 CSNK2A1 (0.61) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL9024147 0.79 ALDH1A1 (0.44) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL30026285 0.78 PLA2G7 (0.41) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL11049484 0.78 KMT2A (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL10349678 0.78 MAPT (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL7706904 0.77 CYP3A4 (0.36) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL1964539 0.76 CYP3A4 (0.56) CYP3A4TSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57081449-A — — None — — JP disclosed
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-11-23 — — US disclosed
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-11-23 — — US disclosed
EP-4161642-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-04-12 — — EP disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
CN-109843283-B Urea derivatives 第一三共株式会社 2022-08-30 — — CN disclosed
US-20220144765-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 — — US disclosed
US-20210206716-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-07-08 — — US disclosed
US-10968169-B2 Urea derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-04-06 — — US disclosed
EP-2760843-A2 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 — — EP disclosed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — WO disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — US disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 — — EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
EP-0052473-B1 N-SUBSTITUTED PHENYL-1-METHYLCYCLOPROPANECARBOXAMIDES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-22 — — EP disclosed
US-4447260-A N-Substituted phenyl-1-methylcyclopropanecarboxamides, and their herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-08 — — US disclosed
EP-0052473-A2 N-Substituted phenyl-1-methylcyclopropanecarboxamides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-26 — — EP disclosed
JP-S5781449-A CYCLOPROPANECARBOXAMIDE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAININIG SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1982-05-21 — — JP 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A CYP3A4 3859/4885TSHR 762/4885MAPT 1080/4885
US-20210206716-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 CYP3A4 265/4885TSHR 1451/4885MAPT 1133/4885
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 GPR65, GPR55, GPR68 CYP3A4 1490/4885TSHR 346/4885MAPT 4713/4885
US-10968169-B2 Urea derivative IDO1, IDO2, UTS2R CYP3A4 249/4885TSHR 1396/4885MAPT 1010/4885
US-20220144765-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 CYP3A4 265/4885TSHR 1451/4885MAPT 1133/4885
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CYP3A4 1191/4885TSHR 283/4885MAPT 659/4885

“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.