SCHEMBL5880077

SCHEMBL5880077

NNC(=O)Cc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
AOC3 Q16853 10/20 0.35
P2RX7 Q99572 1/20 0.34
AOC2 O75106 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL16576431 0.82 MAPT (0.41) KDM6BKDM4AKDM5AKDM4ECYP1A2
SCHEMBL7676173 0.81 KMT2A (0.33)
SCHEMBL2998710 0.81 MAPT (0.39) ALDH1A1
SCHEMBL3012488 0.80 LMNA (0.51) KDM4EALDH1A1
SCHEMBL19022027 0.79 LMNA (0.36)
SCHEMBL2633817 0.79
SCHEMBL3009276 0.77 VHL (0.42) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2693228 0.77 HTT (0.33)
Hydrochloric Acid SCHEMBL424014 0.77 HTT (0.33)
SCHEMBL6447288 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 KDM6B 549/4885KDM4A 581/4885KDM5A 788/4885

“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.