SCHEMBL7547745

SCHEMBL7547745

COCC(=O)Nc1ccccc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
TSHR P16473 1/20 0.70
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 1/20 0.63
LMNA P02545 4/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 3/20 0.62
ALOX12 P18054 1/20 0.62
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL28756536 0.83 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10LMNAALDH1A1HPGD
SCHEMBL10711825 0.83 RAB9A (0.70) SMN1; SMN2LMNAALDH1A1HPGDALOX12
SCHEMBL2005846 0.83 RAB9A (0.73) SMN1; SMN2HSD17B10LMNAALDH1A1HPGD
SCHEMBL29528561 0.83 RAB9A (0.73) SMN1; SMN2HSD17B10LMNAALDH1A1HPGD
SCHEMBL27144018 0.82 TSHR (0.70) TSHRKDM4EHSD17B10LMNAALDH1A1
SCHEMBL14818749 0.81 TSHR (0.68) TSHRKDM4EHSD17B10LMNAALDH1A1
SCHEMBL31656350 0.81 TSHR (0.68) SMN1; SMN2TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL19388071 0.81 POLB (0.68) SMN1; SMN2TSHRKDM4EHSD17B10LMNA
SCHEMBL11718177 0.81 TSHR (0.68) TSHRKDM4EHSD17B10GAAHPGD
SCHEMBL28089629 0.81 TSHR (0.68) TSHRKDM4EHSD17B10LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 US disclosed
US-8968973-B2 Color filter and production method thereof, and solid-state image sensor using the same FUJIFILM CORPORATION (JP) 2015-03-03 US disclosed
US-8968973-B2 Color filter and production method thereof, and solid-state image sensor using the same FUJIFILM CORPORATION (JP) 2015-03-03 US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-20100040963-A1 COLOR FILTER AND PRODUCTION METHOD THEREOF, AND SOLID-STATE IMAGE SENSOR USING THE SAME FUJIFILM CORPORATION (JP) 2010-02-18 US disclosed
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO 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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 SMN1; SMN2 3638/4885TSHR 430/4885KDM4E 1350/4885
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA SMN1; SMN2 1917/4885TSHR 370/4885KDM4E 2720/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A SMN1; SMN2 1192/4885TSHR 1806/4885KDM4E 3756/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 SMN1; SMN2 3638/4885TSHR 430/4885KDM4E 1350/4885

“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.