SCHEMBL2170396

SCHEMBL2170396

COc1cc([N+](=O)[O-])ccc1OCC1(O)CCS(=O)(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.47
▸ HTT P42858 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ KCNA5 P22460 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL2170392 0.91 KCNA3 (0.44) MCHR1HTTPKMKMT2AMEN1
SCHEMBL4829743 0.88 HTT (0.48) HTTPKMKMT2AMEN1TDP1
SCHEMBL2172977 0.85 HTT (0.48) HTTPKMKMT2AMEN1TDP1
SCHEMBL1531369 0.85 SMN1; SMN2 (0.49) HTTPKMKMT2AMEN1TDP1
SCHEMBL1578745 0.81 HTT (0.46) MCHR1HTTPKMKMT2AMEN1
SCHEMBL12344812 0.81 MCHR1 (0.52) MCHR1HTTMAPTALDH1A1MAPK1
SCHEMBL16543584 0.74 HTT (0.58) HTTPKMKMT2AMEN1TDP1
SCHEMBL2372812 0.72 HTT (0.60) HTTPKMKMT2ATDP1SMN1; SMN2
Methyl Alcohol SCHEMBL27770206 0.72 HTT (0.68) HTTPKMKMT2AMEN1TDP1
SCHEMBL224123 0.72 TDP1 (0.60) HTTPKMKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 — — US disclosed
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 — — US disclosed
US-9586900-B2 Pyrrolone or pyrrolidinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-07 — — US disclosed
EP-2892896-B1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-06-29 — — EP disclosed
EP-2892896-B1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-06-29 — — EP disclosed
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — US disclosed
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — US disclosed
US-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — US disclosed
EP-2892896-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2015-07-15 — — EP disclosed
WO-2014039411-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMORE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-13 — — WO disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-8344160-B2 Pyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 — — EP disclosed
EP-2346860-B1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 — — EP disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 — — US disclosed
EP-2346860-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 — — EP disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO disclosed
WO-2010042674-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — 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-20150218093-A1 PYRROLONE OR PYRROLIDINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885HTT 667/4885PKM 692/4885
US-20110195986-A1 PYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885HTT 705/4885PKM 636/4885

“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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