SCHEMBL6132524

SCHEMBL6132524

COc1ccc(-n2cnc(O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
P2RX7 Q99572 1/20 0.44
HTT P42858 2/20 0.43
MIF P14174 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
MAPKAPK2 P49137 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6615348 0.80 CYP1A2 (0.48) CYP1A2CYP2C9P2RX7HTTADORA3
SCHEMBL16202001 0.80 CYP1A2 (0.48) CYP1A2CYP2C9P2RX7HTTADORA3
SCHEMBL10361314 0.79 ALDH1A1 (0.43) HTTMAPTSMN1; SMN2TP53POLB
SCHEMBL22897465 0.79 CYP1A2 (0.47) CYP1A2CYP2C9P2RX7HTTADORA3
SCHEMBL4548444 0.78 P2RX7 (0.51) CYP1A2CYP2C9P2RX7HTTMIF
SCHEMBL10360384 0.78 RXRA (0.42) MAPTSMN1; SMN2TP53POLBPTGS2
SCHEMBL31301332 0.77 MAPT (0.55) CYP1A2CYP2C9MAPTSMN1; SMN2TP53
SCHEMBL6614645 0.76 CYP1A2 (0.44) CYP1A2CYP2C9P2RX7HTTADORA3
SCHEMBL16029005 0.76 RXRA (0.35) CYP1A2CYP2C9MAPTPOLB
SCHEMBL4548449 0.76 NOTUM (0.64) MAPTSMN1; SMN2TP53POLBALDH1A1

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-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed
US-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US disclosed
EP-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 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 (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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 CYP1A2 30/4885CYP2C9 83/4885P2RX7 2593/4885

“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.