SCHEMBL1026558

SCHEMBL1026558

Cc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
VCAM1 P19320 3/20 0.59
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.45
KAT2B Q92831 1/20 0.44
MERTK Q12866 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL323126 0.85 VCAM1 (0.64) MAPTVCAM1TSHRHSD17B10CYP3A4
SCHEMBL7529832 0.83 MAPT (0.53) MAPTVCAM1TSHRHSD17B10CYP3A4
SCHEMBL4477143 0.82 VCAM1 (0.70) MAPTVCAM1TSHRCYP3A4HPGD
SCHEMBL16953119 0.81 MAPT (0.51) MAPTVCAM1TSHRHSD17B10CYP3A4
SCHEMBL4385438 0.79 VCAM1 (0.61) MAPTVCAM1HPGDKAT2BMERTK
SCHEMBL29336859 0.79 MAPT (0.48) MAPTVCAM1TSHRHSD17B10HPGD
SCHEMBL16792376 0.79 MAPT (0.61) MAPTVCAM1TSHRHSD17B10MERTK
SCHEMBL31176850 0.79 MAPT (0.61) MAPTVCAM1TSHRHSD17B10MERTK
SCHEMBL1511983 0.78 VCAM1 (0.59) MAPTVCAM1KAT2BMERTKKMT2A
SCHEMBL14220808 0.78 VCAM1 (0.59) MAPTVCAM1HPGDKAT2BMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441983-A Benzimidazole substituted nitrobenzene-based compound and preparation method thereof 山东福长药业有限公司 2021-03-05 CN claimed
CN-115572243-B Green preparation method of telmisartan key intermediate 湖南大学 2025-06-13 CN disclosed
CN-115572243-B Green preparation method of telmisartan key intermediate 湖南大学 2025-06-13 CN disclosed
CN-112441983-B Benzimidazole-substituted nitrobenzene-based compound and preparation method thereof 山东福长药业有限公司 2023-09-15 CN disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-11555026-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-01-17 US disclosed
CN-115572243-A Green preparation method of telmisartan key intermediate 湖南大学 2023-01-06 CN disclosed
CN-115572243-A Green preparation method of telmisartan key intermediate 湖南大学 2023-01-06 CN disclosed
US-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 US disclosed
EP-3817817-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed
EP-0832066-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
US-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 US disclosed
CN-1140709-A Substituted N- (indole-2-carbonyl) -beta-alaninamides and derivatives as antidiabetics PFIZER (US) 1997-01-22 CN disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO disclosed
WO-1996039385-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL-) AMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1996-12-12 WO disclosed
EP-0655439-A2 5,6-Bicyclic glycoprotein IIb IIIa antagonists useful in inhibition of platelet aggregation ELI LILLY AND COMPANY (US) 1995-05-31 EP disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 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 (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-11555026-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 MAPT 4714/4885VCAM1 2142/4885TSHR 1220/4885
US-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 MAPT 3301/4885VCAM1 1253/4885TSHR 2357/4885

“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.