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SCHEMBL10272385

SCHEMBL10272385

CCC(C)NC(=O)N1CCc2nc(C(=O)NO)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.42
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PDCD1 Q15116 4/20 0.37
▸ CD274 Q9NZQ7 4/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL722737 0.83 NAMPT (0.40) NAMPTPARP1PARP2PDCD1CD274
SCHEMBL719060 0.81 NOTUM (0.47) PDCD1CD274HDAC8HDAC6
SCHEMBL10224182 0.80 TAAR1 (0.47) TP53PARP1PARP2PDCD1CD274
SCHEMBL10224290 0.80 CDK4 (0.41) TP53CDK2PARP1PARP2PDCD1
SCHEMBL7868725 0.78 HDAC6 (0.61) NAMPTHDAC8HDAC6
SCHEMBL10224107 0.78 RAB9A (0.59) NAMPTTP53MAPK1HDAC6NPC1
SCHEMBL10224100 0.78 HDAC6 (0.60) NAMPTHDAC8HDAC6
SCHEMBL10209791 0.77 KMT2A (0.50) NAMPTMAPK1HDAC8HDAC6NPC1
SCHEMBL724391 0.76 SMN1; SMN2 (0.61) TP53MAPK1PDCD1CD274NPC1
SCHEMBL722904 0.76 HDAC6 (0.38) PDCD1CD274HDAC8HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 — — US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 — — US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 — — US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 — — US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 — — 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 (3 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-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NAMPT 3287/4885TP53 3770/4885MAPK1 2716/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NAMPT 3287/4885TP53 3770/4885MAPK1 2716/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NAMPT 3287/4885TP53 3770/4885MAPK1 2716/4885

“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.