SCHEMBL4067128

SCHEMBL4067128

CC(C)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
LMNA P02545 1/20 0.71
GAA P10253 1/20 0.71
ALOX12 P18054 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
HPGDS O60760 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.60
CYP3A4 P08684 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ROCK2 O75116 1/20 0.58
RPS6KA5 O75582 1/20 0.58
MAP4K4 O95819 1/20 0.58
CDK1 P06493 1/20 0.58
CSF1R P07333 1/20 0.58
PRKACA P17612 1/20 0.58
FLT1 P17948 1/20 0.58

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
SCHEMBL10052242 0.92 MLYCD (0.63) ALDH1A1LMNAGAAALOX12NPSR1
SCHEMBL24998749 0.88 MLYCD (0.58) ALDH1A1LMNAGAAALOX12NPSR1
SCHEMBL29772431 0.88 MLYCD (0.58) ALDH1A1LMNAGAAALOX12NPSR1
SCHEMBL155518 0.88 MLYCD (0.58) ALDH1A1LMNAGAAALOX12NPSR1
SCHEMBL8911418 0.86 ERN1 (0.66) ALDH1A1LMNAGAAALOX12NPSR1
Hydrochloric Acid SCHEMBL28544859 0.86 MLYCD (0.56) ALDH1A1LMNAGAAALOX12NPSR1
SCHEMBL7522945 0.86 MLYCD (0.56) ALDH1A1LMNAGAAALOX12NPSR1
Hydrochloric Acid SCHEMBL7849680 0.86 MLYCD (0.56) ALDH1A1LMNAGAAALOX12NPSR1
SCHEMBL8590217 0.85 MLYCD (0.70) ALDH1A1LMNAGAAALOX12NPSR1
SCHEMBL6519640 0.85 NPC1 (0.62) ALDH1A1LMNAGAAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 CN claimed
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP claimed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO claimed
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 CN disclosed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-01-28 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-12 US disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-9884867-B2 Bicyclic alkyne derivatives and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-06 US disclosed
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-08-11 US disclosed
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 US disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
WO-2007070947-A1 ANTIBACTERIAL AGENTS ALCHEMIA LTD (AU) 2007-06-28 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 (7 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ALDH1A1 1635/4885LMNA 4174/4885GAA 1103/4885
US-20160229860-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 ALDH1A1 2703/4885LMNA 3707/4885GAA 3041/4885
US-10544149-B2 Bicyclic alkyne derivatives and uses thereof MAPKAPK2, MAP4K2, MKNK2 ALDH1A1 2664/4885LMNA 3785/4885GAA 3244/4885
US-20180194771-A1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF MAPKAPK2, CAMKK2, MKNK2 ALDH1A1 2703/4885LMNA 3707/4885GAA 3041/4885
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 ALDH1A1 1112/4885LMNA 4427/4885GAA 944/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 ALDH1A1 1929/4885LMNA 1962/4885GAA 2295/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 ALDH1A1 1301/4885LMNA 4728/4885GAA 132/4885

“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.