SCHEMBL4921054

SCHEMBL4921054

COCn1c(C=O)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.57
HSD17B10 Q99714 3/20 0.57
VDR P11473 2/20 0.55
RAB9A P51151 11/20 0.52
NPC1 O15118 10/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
ALDH1A1 P00352 9/20 0.52
TP53 P04637 5/20 0.52
MAPT P10636 3/20 0.52
GLA P06280 5/20 0.50
GAA P10253 5/20 0.50
HPGD P15428 6/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.43

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
SCHEMBL19863783 0.85 RAB9A (0.69) KDM4EHSD17B10VDRRAB9ANPC1
Hydrochloric Acid SCHEMBL4727271 0.82 RAB9A (0.66) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL3616241 0.82 KDM4E (0.65) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL31174248 0.80 VDR (0.48) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL31174250 0.80 VDR (0.48) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL900164 0.80 VDR (0.48) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL9866483 0.79 ALDH1A1 (0.67) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL9674712 0.79 VDR (0.58) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL9673595 0.78 VDR (0.55) KDM4EHSD17B10VDRRAB9ANPC1
SCHEMBL28426171 0.78 LMNA (0.68) KDM4EVDRRAB9ANPC1SMN1; SMN2

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
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 KDM4E 2254/4885HSD17B10 1798/4885VDR 3732/4885

“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.