SCHEMBL14072136

SCHEMBL14072136

COC(=O)CCCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2CO)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
ROCK2 O75116 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL3931727 1.00 KDM4E (0.41) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL29740475 0.97 TRPV1 (0.41) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL23627805 0.97 TRPV1 (0.41) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL18575373 0.97 TRPV1 (0.41) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL29687727 0.93 KDM4E (0.45) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL14071837 0.92 KDM4E (0.45) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL14071839 0.92 KDM4E (0.45) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL4411970 0.92 KDM4E (0.45) KDM4EHCRTR1HCRTR2ROCK2HTT
SCHEMBL31717615 0.90 HCRTR1 (0.41) KDM4EHCRTR1HCRTR2ROCK2TRPV1
SCHEMBL18976237 0.90 HCRTR1 (0.41) KDM4EHCRTR1HCRTR2ROCK2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025224196-A1 COMPOUNDS KING'S COLLEGE LONDON (GB) 2025-10-30 WO disclosed
US-20210371413-A1 POLYCYCLIC AMIDES AS CYTOTOXIC AGENTS Pheon Therapeutics Ltd. (GB) 2021-12-02 US disclosed
US-20210371413-A1 POLYCYCLIC AMIDES AS CYTOTOXIC AGENTS Pheon Therapeutics Ltd. (GB) 2021-12-02 US disclosed
US-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 US disclosed
US-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 US disclosed
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS Secretary of State for Health and Social Care (GB) 2018-12-13 US disclosed
EP-3386985-A1 PBD ANTIBACTERIAL AGENTS Kings College London (GB) 2018-10-17 EP disclosed
WO-2017098257-A1 PBD ANTIBACTERIAL AGENTS KING'S COLLEGE LONDON (GB) 2017-06-15 WO disclosed
WO-2017098257-A1 PBD ANTIBACTERIAL AGENTS KING'S COLLEGE LONDON (GB) 2017-06-15 WO disclosed
US-8637664-B2 Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease SPIROGEN SARL (CH) 2014-01-28 US disclosed
US-8637664-B2 Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease SPIROGEN SARL (CH) 2014-01-28 US disclosed
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease SPIROGEN LIMITED (GB) 2008-09-04 US disclosed
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease SPIROGEN LIMITED (GB) 2008-09-04 US disclosed
US-20070154906-A1 Methods to identify therapeutic candidates SPIROGEN LTD. (GB) 2007-07-05 US disclosed
US-20070154906-A1 Methods to identify therapeutic candidates SPIROGEN LTD. (GB) 2007-07-05 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 (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-10640507-B2 PBD antibacterial agents OPRD1, XDH, SBDS KDM4E 1869/4885HCRTR1 156/4885HCRTR2 166/4885
US-20210371413-A1 POLYCYCLIC AMIDES AS CYTOTOXIC AGENTS PBRM1, NFATC1, ACIN1 KDM4E 2605/4885HCRTR1 3500/4885HCRTR2 3246/4885
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS OPRD1, XDH, SBDS KDM4E 1869/4885HCRTR1 156/4885HCRTR2 166/4885
US-20080214525-A1 Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease CCNY, NR0B1, CNR1 KDM4E 1498/4885HCRTR1 298/4885HCRTR2 248/4885

“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.