SCHEMBL4144980

SCHEMBL4144980

COc1ccccc1C(=O)NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
NOD2 Q9HC29 1/20 0.47
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 2/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
KDR P35968 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4149014 0.85 RAB9A (0.52) HPGDALDH1A1RAB9AMAPK1TP53
SCHEMBL4137031 0.84 S1PR5 (0.42) RAB9AKDM4EMAPK1CDK4CCNA2
SCHEMBL6426335 0.80 KMT2A (0.46) HPGDALDH1A1RAB9AKDM4ELMNA
SCHEMBL5030016 0.80 TSHR (0.40) HPGDRAB9AKDM4EMAPK1POLB
SCHEMBL6427096 0.80 MAPT (0.47) HPGDALDH1A1RAB9AKDM4ELMNA
SCHEMBL2861469 0.78 CDK4 (0.48) HPGDALDH1A1KDM4ELMNAMAPK1
SCHEMBL2860995 0.78 HPGD (0.47) HPGDALDH1A1RAB9AKDM4ELMNA
SCHEMBL14075027 0.78 GSK3B (0.44) HPGDPOLBCDK2HDAC3HDAC1
SCHEMBL4341021 0.76 MAPT (0.49) HPGDALDH1A1RAB9AKDM4ELMNA
SCHEMBL6427872 0.73 SMN1; SMN2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HPGD 1849/4885ALDH1A1 2731/4885RAB9A 1606/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGD 2100/4885ALDH1A1 2713/4885RAB9A 1726/4885

“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.