SCHEMBL19003161

SCHEMBL19003161

CCCCC(CC)c1nnc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19501167 0.95 KDM4E (0.40) KDM4ESMN1; SMN2POLB
SCHEMBL21501800 0.89 POLB (0.37) KDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL25488050 0.85 LMNA (0.36) KDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL20630571 0.84 ALDH1A1 (0.37) SMN1; SMN2POLBALDH1A1HSD17B10
SCHEMBL22064868 0.81 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3909195 0.80 ALDH1A1 (0.43) KDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL22065258 0.77 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL20713853 0.73 ALDH1A1 (0.38) SMN1; SMN2POLBALDH1A1HSD17B10
SCHEMBL10191818 0.70 POLB (0.35) SMN1; SMN2POLBALDH1A1
SCHEMBL20653786 0.69 KDM4E (0.40) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377065-B1 SPIROCYCLIC PYRIDOTRIAZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2022-05-18 EP disclosed
EP-3389380-B1 SPIROCYCLIC QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2021-07-21 EP disclosed
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 US disclosed
WO-2019010165-A1 BENZAMIDE INHIBITORS OF BACTERICAL LIPOPROTEIN SIGNAL PEPTIDASE THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-10 WO disclosed
WO-2017106071-A1 SPIROCYCLIC QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 KDM4E 3875/4885SMN1; SMN2 4286/4885POLB 3107/4885

“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.