SCHEMBL404758

SCHEMBL404758

Cc1ccc(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.64
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
GRIA1 P42261 2/20 0.47
GRIA2 P42262 2/20 0.47
GRIA3 P42263 2/20 0.47
GRIA4 P48058 2/20 0.47
MAPT P10636 2/20 0.47
GRM6 O15303 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR35 Q9HC97 1/20 0.46
KAT2B Q92831 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1343668 0.85 TSHR (0.60) VCAM1TSHRCYP3A4GRIA1GRIA2
SCHEMBL4460593 0.81 TSHR (0.60) VCAM1TSHRCYP3A4MAPTTDP1
SCHEMBL11477482 0.81 VCAM1 (0.68) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8143514 0.79 VCAM1 (0.66) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL82629 0.79 VCAM1 (0.66) VCAM1TSHRGRIA1GRIA2GRIA3
SCHEMBL2330159 0.78 VCAM1 (0.64) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2418556 0.78 VCAM1 (0.64) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL1343562 0.78 VCAM1 (1.00) VCAM1TSHRGRIA1GRIA2GRIA3
SCHEMBL404745 0.78 VCAM1 (0.64) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL11104164 0.78 VCAM1 (0.64) VCAM1TSHRCYP3A4GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2025-07-03 US disclosed
US-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2024-04-04 US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
CN-111499539-B Aryl cyanide synthesis method using aryl carboxylic acid as raw material 南昌大学 2022-10-11 CN disclosed
US-20220251066-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2022-08-11 US disclosed
CN-108697710-B Novel substituted cyanoindoline derivatives as NIK inhibitors 杨森制药有限公司 2022-02-18 CN disclosed
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
CN-108558778-B Dihydro quinazolinone compound and preparation method thereof 三峡大学 2021-06-18 CN disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
CN-111499539-A Aryl cyanide synthesis method using aryl carboxylic acid as raw material 南昌大学 2020-08-07 CN disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0906091-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-07 EP disclosed
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed
WO-1997036580-A1 AMIDINOHYDRAZONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed
EP-0110559-B1 PROCESS FOR THE PREPARATION OF 4-CHLORO-2-NITROBENZONITRILE SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1987-07-15 EP disclosed
US-3979431-A Process for preparing nitroaromatic nitriles CHEVRON RESEARCH COMPANY (US) 1976-09-07 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 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 (5 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-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR VCAM1 3893/4885TSHR 282/4885CYP3A4 4458/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB VCAM1 1275/4885TSHR 4197/4885CYP3A4 3336/4885
US-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR VCAM1 3893/4885TSHR 282/4885CYP3A4 4458/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG VCAM1 1163/4885TSHR 4145/4885CYP3A4 3725/4885
US-20220251066-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR VCAM1 3893/4885TSHR 282/4885CYP3A4 4458/4885

“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.