SCHEMBL5237888

SCHEMBL5237888

CC1CCC(C(=O)N(c2nn(-c3ccccc3)cc2C(=O)O)C2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5235776 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5232191 0.92 MEN1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5234148 0.92 MEN1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5234189 0.92 OPRM1 (0.38) ALDH1A1KDM5B
SCHEMBL5232176 0.92 MEN1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5232188 0.92 MEN1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5235918 0.92 OPRM1 (0.38) ALDH1A1KDM5B
SCHEMBL5233487 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5233491 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5236316 0.88 NPSR1 (0.44) ALDH1A1KDM4EUSP2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP claimed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L ALDH1A1 1138/4885L3MBTL1 2059/4885MEN1 4820/4885

“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.