Sugi Predict

Sugi Predict / Compounds / SCHEMBL3588866

SCHEMBL3588866

SCHEMBL3588866

Cc1nc(Br)c(-c2snnc2-c2cc(O)c(O)c([N+](=O)[O-])c2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 2/20 0.39
▸ TUBB4A P04350 2/20 0.39
▸ TUBB P07437 2/20 0.39
▸ TUBA3C P0DPH7 2/20 0.39
▸ TUBA1B P68363 2/20 0.39
▸ TUBA4A P68366 2/20 0.39
▸ TUBB4B P68371 2/20 0.39
▸ TUBB3 Q13509 2/20 0.39
▸ TUBB2A Q13885 2/20 0.39
▸ TUBB8 Q3ZCM7 2/20 0.39
▸ TUBA3E Q6PEY2 2/20 0.39
▸ TUBA1A Q71U36 2/20 0.39
▸ TUBA1C Q9BQE3 2/20 0.39
▸ TUBB6 Q9BUF5 2/20 0.39
▸ TUBB2B Q9BVA1 2/20 0.39
▸ TUBB1 Q9H4B7 2/20 0.39
▸ ERN1 O75460 2/20 0.35
▸ GPR35 Q9HC97 3/20 0.35
▸ TTR P02766 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3595055 0.91 COMT (0.46) COMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3941794 0.88 COMT (0.41) COMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1446920 0.82 COMT (0.44) COMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3937757 0.81 COMT (0.45) COMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3586367 0.80 TUBB4A (0.41) COMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3583954 0.79 COMT (0.47) COMTERN1GPR35TTRKDM4E
SCHEMBL3577466 0.78 COMT (0.40) COMTERN1GPR35TTRKDM4E
SCHEMBL1446777 0.78 COMT (0.53) COMTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3576676 0.78 COMT (0.48) COMTERN1GPR35TTRKDM4E
SCHEMBL3577138 0.78 COMT (0.41) COMTERN1GPR35TTRKDM4E

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 COMT 10/4885TUBB4A 1473/4885TUBB 1251/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 COMT 10/4885TUBB4A 1473/4885TUBB 1251/4885

“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.