SCHEMBL1144551

SCHEMBL1144551

CCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.62
BCL9 O00512 1/20 0.61
CTNNB1 P35222 1/20 0.61
HTR2A P28223 1/20 0.56
GAA P10253 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 6/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PKM P14618 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.46

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
SCHEMBL27882785 0.98 MGLL (0.60) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL1958366 0.97 MGLL (0.60) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL21433889 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL21777065 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL9846659 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL21433779 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL29830677 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL21433828 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL2234364 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA
SCHEMBL29398055 0.96 MGLL (0.62) MGLLBCL9CTNNB1HTR2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
EP-3728216-B1 PYRAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-09-06 EP disclosed
CN-116640117-A Triazole LPAR1 antagonists and uses thereof 武汉人福创新药物研发中心有限公司 2023-08-25 CN disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed
US-11384067-B2 Pyrazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-07-12 US disclosed
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 EP disclosed
WO-2022100625-A1 NITROGEN-SUBSTITUTED AMINOCARBONATE THIOPHENE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2070536-A1 PHARMACEUTICAL COMPOSITION COMPRISING PHENYLAMIDINE DERIVATIVE AND METHOD OF USING THE PHARMACEUTICAL COMPOSITION IN COMBINATION WITH ANTIFUNGAL AGENT Toyama Chemical Co., Ltd. (JP) 2009-06-17 EP disclosed
EP-1967190-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2008-09-10 EP disclosed
WO-2007090733-A1 NITROOXY DERIVATIVES SUITABLE AS ALPHA2 ADRENERGIC RECEPTOR AGONISTS NICOX S.A. (FR) 2007-08-16 WO disclosed
US-20070032405-A1 Branched water-soluble polymers and their conjugates NEOSE TECHNOLOGIES, INC. (US) 2007-02-08 US disclosed
CN-1062561-C 7-halo-and 7 beta, 8 beta-methylene-paclitaxel, antitumor use and pharmaceutical composition containing the same PHARMAIN & UPJOHN CO (US) 2001-02-28 CN disclosed
CN-1261072-A 7-halogenated and 7 beta, 8 beta-methylene-taxinol, its usage against cancers and medicinal compositions containing it UPJOHN CO (US) 2000-07-26 CN disclosed
WO-2000002864-A1 PRECUSORS FOR PNA-MONOMERS MARTENS JUERGEN (DE) 2000-01-20 WO disclosed
CN-1095377-A 7-halo-and 7 beta, 8 beta-methylene-paclitaxel, antitumor use and pharmaceutical composition containing the same UPJOHN CO (US) 1994-11-23 CN 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-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 MGLL 2395/4885BCL9 4720/4885CTNNB1 2820/4885
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE ERG28, DPM1, NAT1 MGLL 3679/4885BCL9 2659/4885CTNNB1 4861/4885
US-11384067-B2 Pyrazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR4, LPAR5 MGLL 1238/4885BCL9 2446/4885CTNNB1 1917/4885
US-20070032405-A1 Branched water-soluble polymers and their conjugates SLC7A5, SLC43A1, SLC7A1 MGLL 132/4885BCL9 1370/4885CTNNB1 4281/4885

“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.