SCHEMBL21055972

SCHEMBL21055972

Nc1ccnc(-c2ccc(F)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.66
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
TGFBR1 P36897 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPKAPK2 P49137 2/20 0.40
APP P05067 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
MAP4K4 O95819 1/20 0.39
MAPK14 Q16539 1/20 0.38
KDM1A O60341 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL30437053 1.00 ASIC3 (0.66) ASIC3RAB9AALDH1A1ALOX5MEN1
SCHEMBL30337333 0.89 ASIC3 (0.79) ASIC3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27675974 0.85 ASIC3 (0.73) ASIC3RAB9AALDH1A1MEN1NPC1
SCHEMBL30880192 0.83 ASIC3 (0.54) ASIC3RAB9AALDH1A1ALOX5MEN1
SCHEMBL28687161 0.83 ASIC3 (0.54) ASIC3RAB9AALDH1A1ALOX5MEN1
SCHEMBL12436465 0.80 ASIC3 (0.92) ASIC3RAB9AALDH1A1MEN1NPC1
SCHEMBL12692399 0.80 ASIC3 (0.66) ASIC3RAB9AALDH1A1MEN1NPC1
SCHEMBL28593789 0.80 ASIC3 (0.66) ASIC3RAB9AALDH1A1MEN1NPC1
SCHEMBL4848507 0.79 ASIC3 (0.59) ASIC3TGFBR1MAPKAPK2CCNT1CCNA2
SCHEMBL18745790 0.79 ASIC3 (0.70) ASIC3ALDH1A1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267808-B2 Benzamide derivatives as PPAR-gamma modulators MEDIBIOFARMA, S.L. (ES) 2022-03-08 US disclosed
EP-3724165-B1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA S L (ES) 2022-01-12 EP disclosed
EP-3724165-B1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA S L (ES) 2022-01-12 EP disclosed
US-20210171511-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2021-06-10 US disclosed
US-20210171511-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2021-06-10 US disclosed
EP-3724165-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2020-10-21 EP disclosed
CN-111630030-A Novel benzamide derivatives as PPAR-gamma modulators 梅迪比奥法尔玛公司 2020-09-04 CN disclosed
CN-106831556-B Sulfonamide compound, preparation method thereof and application of sulfonamide compound as urate transporter inhibitor medicine 成都海创药业有限公司 2020-09-01 CN disclosed
WO-2019115498-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2019-06-20 WO disclosed
WO-2019115498-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2019-06-20 WO disclosed
EP-3498694-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2019-06-19 EP disclosed
EP-3498694-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS MEDIBIOFARMA, S.L. (ES) 2019-06-19 EP disclosed
CN-106831556-A Sulfamide compound and preparation method thereof and the purposes as lithate transporter inhibitors class medicine 成都海创药业有限公司 2017-06-13 CN 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 (2 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-20210171511-A1 NEW BENZAMIDE DERIVATIVES AS PPAR-GAMMA MODULATORS PPARD, PPARG, PPARA ASIC3 2731/4885RAB9A 2216/4885ALDH1A1 597/4885
US-11267808-B2 Benzamide derivatives as PPAR-gamma modulators PPARG, PPARD, PPARA ASIC3 2686/4885RAB9A 2359/4885ALDH1A1 606/4885

“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.