SCHEMBL5227612

SCHEMBL5227612

Cc1cccc(NC(=O)Cc2[nH]nc(C)c2Oc2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GBA1 P04062 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
SCHEMBL5227699 0.79 P2RX7 (0.62) RAB9ANPC1KMT2AALDH1A1
SCHEMBL10254128 0.77 P2RX7 (0.41) CYP3A4ALDH1A1MAPT
SCHEMBL508731 0.77 P2RX7 (0.41) MAPT
SCHEMBL5229533 0.75 P2RX7 (0.50) RAB9ASMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL5226230 0.75 P2RX7 (0.62) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5225492 0.74 KCNH2 (0.53) CYP3A4RAB9ANPC1LMNAKMT2A
SCHEMBL5227112 0.73 P2RX7 (0.53)
SCHEMBL5227908 0.73 P2RX7 (0.58) CYP3A4RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL14599716 0.72 KCNH2 (0.40) CYP3A4MAPT
SCHEMBL5619683 0.71 ROCK1 (0.41) RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP3A4 47/4885RAB9A 2224/4885NPC1 2071/4885

“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.