Sugi Predict

Sugi Predict / Compounds / SCHEMBL623988

SCHEMBL623988

SCHEMBL623988

O=C(NCCc1cccc(Cl)c1)c1cc(Br)sc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HTT P42858 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ THRB P10828 1/20 0.57
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CNR1 P21554 2/20 0.53
▸ HPGD P15428 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ PLAAT3 P53816 2/20 0.49
▸ PLAAT5 Q96KN8 2/20 0.49
▸ PLAAT2 Q9NWW9 2/20 0.49
▸ PLAAT4 Q9UL19 2/20 0.49

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
SCHEMBL623403 0.80 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL5602990 0.75 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL19579563 0.75 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL8218590 0.74 NPC1 (0.71) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL3961413 0.73 KMT2A (0.67) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL31683858 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL28631718 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL4525519 0.73 ALDH1A1 (0.72) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL17790726 0.73 CNR1 (0.68) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL6159150 0.72 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 — — US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-8796271-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 — — EP disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 — — US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 — — US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 — — US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 — — US disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 — — WO disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 — — 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 (4 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-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 SMN1; SMN2 4003/4885NPC1 2007/4885RAB9A 1392/4885
US-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 SMN1; SMN2 4003/4885NPC1 2007/4885RAB9A 1392/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 SMN1; SMN2 4156/4885NPC1 1490/4885RAB9A 1033/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 SMN1; SMN2 4156/4885NPC1 1490/4885RAB9A 1033/4885

“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.