SCHEMBL288907

SCHEMBL288907

N#Cc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
VCAM1 P19320 1/20 0.58
HCAR3 P49019 12/20 0.54
APEX1 P27695 1/20 0.50

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
SCHEMBL28432435 0.98 CASP6 (0.62) CASP6TSHRLMNAVCAM1HCAR3
SCHEMBL23037538 0.97 CASP6 (0.60) CASP6TSHRLMNAVCAM1HCAR3
SCHEMBL15208519 0.87 PARP1 (0.61) CASP6TSHRLMNAVCAM1
SCHEMBL18113454 0.87 CASP6 (0.64) CASP6TSHRLMNAVCAM1HCAR3
SCHEMBL289572 0.85 VCAM1 (0.61) CASP6TSHRLMNAVCAM1APEX1
SCHEMBL12437546 0.85 CASP6 (0.49) CASP6TSHRLMNAVCAM1HCAR3
SCHEMBL9882428 0.85 ALDH1A1 (0.48) CASP6TSHRLMNAVCAM1HCAR3
SCHEMBL16953006 0.83 VCAM1 (0.58) CASP6TSHRLMNAVCAM1HCAR3
SCHEMBL28317899 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL11702728 0.82 VCAM1 (0.50) CASP6TSHRLMNAVCAM1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163347-B Synthesis method of N-acyl glutamate 镇江中智化学科技有限公司 2024-03-26 CN claimed
CN-116178301-A Preparation method of cyclic lipopeptides natural product Dysoxyactam A and analogues thereof 中国科学院上海药物研究所 2023-05-30 CN disclosed
CN-106242998-B Use of 4-cyano-3-benzoylamino-N-phenyl-benzamides in pesticides 先正达参股股份有限公司 2021-11-05 CN disclosed
CN-111333545-B 3, 6-dioxocyclohexyl-1, 4-diene-1, 2-dinitrile derivative, preparation and application thereof 华中科技大学 2021-03-26 CN disclosed
EP-3786143-A1 PROCESS FOR PREPARING FLUOROBENZENE DERIVATIVES AND BENZOIC ACID HYPOFLUORITE DERIVATIVES Fujian Yongjing Technology Co., Ltd. (CN) 2021-03-03 EP disclosed
CN-111423393-A Synthetic method of seventeen-membered large cyclic lipopeptide natural compound 北京大学深圳研究生院 2020-07-17 CN disclosed
CN-111333545-A 3, 6-dioxocyclohexyl-1, 4-diene-1, 2-dinitrile derivative, preparation and application thereof 华中科技大学 2020-06-26 CN disclosed
EP-2636667-B1 BENZAMIDE DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2019-01-09 EP disclosed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0497765-B1 PROCESS FOR THE PRODUCTION OF ORTHO-NITROBENZONITRILES ICI AMERICA INC (US) 1994-09-28 EP disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
EP-0497765-A1 PROCESS FOR THE PRODUCTION OF ORTHO-NITROBENZONITRILES. ICI AMERICA INC (US) 1992-08-12 EP disclosed
WO-1991006530-A1 PROCESS FOR THE PRODUCTION OF ORTHO-NITROBENZONITRILES ICI AMERICAS INC. (US) 1991-05-16 WO disclosed
EP-0425743-A1 Process for the production of ortho-nitrobenzonitriles ICI AMERICAS INC. (US) 1991-05-08 EP disclosed
US-4886936-A REACTING ORTHONITROCHLOROBENZENE WITH (CUPROUS OR LITHIUM) CYANIDE AND BROMIDE ICI AMERICAS INC. (US) 1989-12-12 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 (1 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-10130633-B2 Compounds AADAC, NAT1, CBR3 CASP6 1116/4885TSHR 2036/4885LMNA 80/4885

“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.