SCHEMBL1357643

SCHEMBL1357643

N#Cc1ccc2c(ccn2-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.50
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MGLL Q99685 1/20 0.48
ENPP3 O14638 1/20 0.44
CDC7 O00311 2/20 0.43
ALB P02768 1/20 0.43
POLB P06746 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
APEX1 P27695 3/20 0.42
RECQL P46063 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
NR4A1 P22736 2/20 0.42
PTPN7 P35236 2/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL6840228 0.90 ROCK2 (0.53) ROCK2PIM1PIM3FFAR4MGLL
SCHEMBL13431113 0.86 ROCK2 (0.47) ROCK2PIM1PIM3FFAR4MGLL
SCHEMBL693720 0.83 MGLL (0.58) ROCK2PIM1PIM3FFAR4MGLL
SCHEMBL1356786 0.83 FFAR4 (0.47) ROCK2PIM1PIM3FFAR4MGLL
SCHEMBL4282844 0.82 ENPP3 (0.56) FFAR4MGLLENPP3CDC7ALB
SCHEMBL1356949 0.81 PLA2G10 (0.54) ROCK2PIM1PIM3POLBTDP1
SCHEMBL6840254 0.80 ROCK2 (0.76) ROCK2PIM1PIM3POLBTDP1
SCHEMBL27403900 0.79 CDC7 (0.50) ROCK2PIM1PIM3FFAR4MGLL
SCHEMBL13243745 0.78 ROCK2 (0.51) ROCK2PIM1PIM3POLBTDP1
SCHEMBL6292916 0.78 FFAR4 (0.43) FFAR4MGLLENPP3CDC7ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
US-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
EP-2383573-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER Astellas Pharma Inc. (JP) 2011-11-02 EP disclosed
CN-101835747-A Benzimidazole derivative ASTELLAS PHARMA INC 2010-09-15 CN disclosed
WO-2010087319-A1 METHOD FOR SCREENING SUBSTANCE USEFUL AS THERAPEUTIC AGENT FOR PROSTATE CANCER アステラス製薬株式会社 (JP) 2010-08-05 WO disclosed
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-07-29 US disclosed
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-07-29 US disclosed
EP-2172454-A1 BENZIMIDAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-07 EP 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-20110282066-A1 SCREENING METHOD FOR SUBSTANCE USEFUL AS AGENT FOR TREATING PROSTATE CANCER CYP17A1, KLK3, NR5A1 ROCK2 2929/4885PIM1 4639/4885PIM3 4673/4885
US-20100190826-A1 BENZIMIDAZOLE DERIVATIVE SHBG, SRD5A1, AR ROCK2 2866/4885PIM1 1770/4885PIM3 1665/4885

“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.