SCHEMBL14334121

SCHEMBL14334121

O=S(=O)(NCc1ccnc2ccccc12)c1ccc(Cc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CXCR4 P61073 1/20 0.46
▸ NAMPT P43490 3/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ KIT P10721 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SGMS1 Q86VZ5 1/20 0.41
▸ NPY1R P25929 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ MAPT P10636 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
SCHEMBL14334349 0.91 KEAP1 (0.48) CA1CA2CA9NAMPTSMN1; SMN2
SCHEMBL14333772 0.83 SMN1; SMN2 (0.53) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL14992892 0.81 SMN1; SMN2 (0.47) CA1CA2SMN1; SMN2HTTLMNA
SCHEMBL4508326 0.81 CYP19A1 (0.50) CYP19A1SMN1; SMN2HTTALDH1A1NPY1R
SCHEMBL15643222 0.80 ADAMTS4 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL15819472 0.78 HTT (0.50) CA1CA2CA9SMN1; SMN2HTT
SCHEMBL3258403 0.78 NPY1R (0.42) NAMPTSMN1; SMN2HTTNPY1RNPY5R
SCHEMBL15841261 0.77 HTT (0.48) SMN1; SMN2HTTLMNAALDH1A1NPY1R
SCHEMBL14334759 0.77 AR (0.53) CYP19A1SMN1; SMN2HTTALDH1A1SGMS1
SCHEMBL15643545 0.75 CYP19A1 (0.44) CYP19A1SMN1; SMN2HTTLMNAALDH1A1

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 6 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
EP-2721006-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS E. I. Du Pont de Nemours and Company (US) 2014-04-23 — — EP claimed
WO-2012177668-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-12-27 — — WO claimed
US-20140113934-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2014-04-24 — — US disclosed
EP-2721006-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS E. I. Du Pont de Nemours and Company (US) 2014-04-23 — — EP disclosed
WO-2012177668-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-12-27 — — 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-20140113934-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS NR5A2, NR2C2, NPY5R CYP19A1 686/4885CA1 1605/4885CA2 1233/4885

“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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