SCHEMBL14914575

SCHEMBL14914575

C=C(OCC)c1cnc2cc(Br)ccc2n1.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ AURKB Q96GD4 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 2/20 0.32

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
SCHEMBL1293884 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14914425 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12648085 0.71 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2000194 0.71 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18463872 0.70 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1294236 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTHTTABCG2
SCHEMBL18463765 0.68 PABPC1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL17960604 0.67 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27944508 0.65 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL13905401 0.64 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTRXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 — — US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 — — US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 — — US disclosed
US-20130317213-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-11-28 — — US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 — — 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 (6 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL ALDH1A1 1107/4885SMN1; SMN2 4310/4885NPC1 72/4885
US-20130317213-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS ALDH1A1 1627/4885SMN1; SMN2 4690/4885NPC1 357/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885SMN1; SMN2 4352/4885NPC1 65/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885SMN1; SMN2 4352/4885NPC1 65/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885SMN1; SMN2 4352/4885NPC1 65/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885SMN1; SMN2 4352/4885NPC1 65/4885

“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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