SCHEMBL15643545

SCHEMBL15643545

O=S(=O)(NCc1ccnc2ccccc12)c1ccc(C#Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ PTGES O14684 2/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL15643340 0.90 ALDH1A1 (0.42) CYP19A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL14992486 0.87 PRMT1 (0.43) HTTSMN1; SMN2ALDH1A1POLBNPY1R
SCHEMBL14334759 0.84 AR (0.53) CYP19A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL14993097 0.84 ADAMTS4 (0.45) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14992699 0.83 NPY1R (0.44) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14333772 0.82 SMN1; SMN2 (0.53) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4508326 0.80 CYP19A1 (0.50) CYP19A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL14992892 0.80 SMN1; SMN2 (0.47) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15819557 0.80 MAPT (0.45) CYP19A1HTTSMN1; SMN2MAPTCYP1A2
SCHEMBL15643247 0.79 CYP19A1 (0.48) CYP19A1HTTSMN1; SMN2GAAKDM4E

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-20140113934-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-24 — — US claimed
US-20140113934-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-24 — — 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-20140113934-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS NR5A2, NR2C2, NPY5R CYP19A1 686/4885HTT 2978/4885SMN1; SMN2 1669/4885

“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.

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