SCHEMBL2961408

SCHEMBL2961408

COc1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
HTR7 P34969 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
ABL1 P00519 1/20 0.51
ABCB1 P08183 1/20 0.51
BCR P11274 1/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
EIF4E P06730 1/20 0.50
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL227679 0.86 PTGS2 (0.58) ALDH1A1TDP1HTR7NPC1RAB9A
SCHEMBL3335019 0.86 ALDH1A1 (0.69) ALDH1A1TDP1HTR7NPC1RAB9A
SCHEMBL28233631 0.85 HTR7 (0.52) ALDH1A1TDP1HTR7NPC1RAB9A
SCHEMBL27744304 0.84 NPC1 (0.46) ALDH1A1TDP1HTR7NPC1RAB9A
SCHEMBL3489869 0.84 HTR7 (0.51) ALDH1A1TDP1HTR7NPC1RAB9A
SCHEMBL2336139 0.83 HTR7 (0.56) ALDH1A1TDP1HTR7NPC1RAB9A
SCHEMBL2957169 0.82 NPC1 (0.70) ALDH1A1TDP1NPC1RAB9AKMT2A
SCHEMBL30785680 0.82 NPC1 (0.70) ALDH1A1TDP1NPC1RAB9AKMT2A
SCHEMBL7773844 0.82 ALDH1A1 (0.59) ALDH1A1TDP1HTR7NPC1RAB9A
SCHEMBL29676476 0.81 APP (0.57) ALDH1A1TDP1HTR7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229154-A Preparation method of bifenazate intermediate 帕潘纳(北京)科技有限公司 2023-12-15 CN disclosed
CN-112047871-B Preparation method of indole compound 南京大学 2022-06-21 CN disclosed
CN-112047871-A Preparation method of indole compound 南京大学 2020-12-08 CN disclosed
US-20190082845-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS INCURON INC (US) 2019-03-21 US disclosed
CN-106967046-A Preparation method of N-heteroaryl hydroxycarbazole compound 浙江工业大学 2017-07-21 CN disclosed
CN-106957301-A A kind of preparation method of the hydroxycarbazole class compound of N heteroaryls 2 浙江工业大学 2017-07-18 CN disclosed
US-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS INCURON, INC. 2017-06-15 US disclosed
US-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS INCURON, INC. 2017-06-15 US disclosed
US-9566265-B2 Carbazole compounds and therapeutic uses of the compounds INCURON, LLC (US) 2017-02-14 US disclosed
US-9566265-B2 Carbazole compounds and therapeutic uses of the compounds INCURON, LLC (US) 2017-02-14 US disclosed
US-6362380-B1 REACTING 2-NITROCHLOROBENZENE AND A BORONIC ACID ; PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-0888261-B1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AG (DE) 2001-11-28 EP disclosed
EP-0888261-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
US-5677328-A SLEEP DISORDERS; PSYCHOLOGICAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-14 US disclosed
WO-1997033846-A1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
EP-0771791-A1 Ethylamino carbazole melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1997-05-07 EP disclosed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 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 (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-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS MALT1, PAICS, BCL9 ALDH1A1 633/4885TDP1 1323/4885HTR7 2054/4885

“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.