SCHEMBL3589540

SCHEMBL3589540

O=[N+]([O-])c1cc(-c2nnsc2-c2cccc(F)n2)cc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TTR P02766 5/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL1446838 0.81 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3589042 0.80 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3572796 0.78 COMT (0.42) CRHBPCRHR2TTRMAPTKDM4E
SCHEMBL3590669 0.78 EIF4E (0.44) CRHBPCRHR2MAPTKDM4EMEN1
SCHEMBL3589466 0.78 TTR (0.40) CRHBPCRHR2TTRMAPTKDM4E
SCHEMBL3586103 0.78 MAPT (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3580366 0.77 RAB9A (0.41) CRHBPCRHR2TTRMAPTKDM4E
SCHEMBL1446778 0.76 TUBB4A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3590226 0.76 CRHBP (0.40) CRHBPCRHR2TTRMAPTKDM4E
SCHEMBL1446779 0.76 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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 (2 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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 TUBB4A 1473/4885TUBB 1251/4885TUBA3C 666/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TUBB4A 1473/4885TUBB 1251/4885TUBA3C 666/4885

“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.