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SCHEMBL2611535

SCHEMBL2611535

COC(=O)c1ccc2ccn(Cc3cccc(N)c3)c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.52
▸ IDO1 P14902 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ PLG P00747 1/20 0.41
▸ YTHDC1 Q96MU7 1/20 0.41
▸ CFTR P13569 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ NPC1 O15118 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
Hydrochloric Acid SCHEMBL2118697 0.99 PLAU (0.51) PLAUIDO1POLBKDM4EALDH1A1
SCHEMBL2117651 0.88 MMP13 (0.48) IDO1POLBKDM4EALDH1A1HPGD
SCHEMBL2116294 0.87 IDO1 (0.44) PLAUIDO1POLBKDM4EALDH1A1
SCHEMBL10285120 0.86 PLAU (0.53) PLAUPLG
SCHEMBL1607787 0.85 KDM4E (0.57) PLAUIDO1POLBKDM4EALDH1A1
SCHEMBL2116372 0.83 IDO1 (0.46) PLAUIDO1POLBKDM4EALDH1A1
SCHEMBL6179524 0.83 MAPK8 (0.56) IDO1MAPK10LOXL2YTHDC1MAPT
SCHEMBL2117468 0.82 LMNA (0.44) IDO1POLBKDM4EALDH1A1HPGD
SCHEMBL6697238 0.81 PDPK1 (0.43) POLBKDM4EALDH1A1HPGDAPOBEC3A
SCHEMBL2116510 0.80 LMNA (0.43) IDO1POLBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 — — WO disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 — — WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — 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 (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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PLAU 2805/4885IDO1 407/4885POLB 578/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PLAU 2805/4885IDO1 407/4885POLB 578/4885

“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.