SCHEMBL18280560

SCHEMBL18280560

C[C@H](NC(=O)c1ccc2c(c1)OCCN2)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.53
ROCK1 Q13464 2/20 0.53
GAA P10253 2/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 2/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48
FLT1 P17948 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
AKT1 P31749 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL18280561 1.00 ROCK2 (0.53) ROCK2ROCK1GAAPRMT5WDR77
SCHEMBL14073009 0.81 ROCK2 (0.55) ROCK2ROCK1PRMT5WDR77ALDH1A1
SCHEMBL14073010 0.81 ROCK2 (0.55) ROCK2ROCK1PRMT5WDR77ALDH1A1
SCHEMBL18280582 0.80 KDM4E (0.58) ROCK2ROCK1GAAALDH1A1LMNA
SCHEMBL18280584 0.80 KDM4E (0.58) ROCK2ROCK1GAAALDH1A1LMNA
SCHEMBL18006523 0.80 ALDH1A1 (0.52) ROCK2ROCK1GAAALDH1A1LMNA
SCHEMBL18006529 0.80 ALDH1A1 (0.52) ROCK2ROCK1GAAALDH1A1LMNA
SCHEMBL2036464 0.76 HPGD (0.69) ROCK2ROCK1PRMT5WDR77ALDH1A1
SCHEMBL4290086 0.75 MAPT (0.55) GAAPRMT5WDR77ALDH1A1NPC1
SCHEMBL29566033 0.75 MAPT (0.55) GAAPRMT5WDR77ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US 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 (1 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-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT PPARG, CDK5, CDK5R1 ROCK2 2570/4885ROCK1 1720/4885GAA 2202/4885

“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.