SCHEMBL1926319

SCHEMBL1926319

Nc1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 4/20 0.43
TP53 P04637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALPL P05186 1/20 0.42
KEAP1 Q14145 1/20 0.41
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GMNN O75496 1/20 0.37
PKM P14618 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL3442252 1.00 METAP2 (0.50) METAP2ALDH1A1CYP3A4TP53TDP1
Hydrochloric Acid SCHEMBL2671869 0.98 METAP2 (0.48) METAP2ALDH1A1CYP3A4TP53TDP1
SCHEMBL16766999 0.88 LMNA (0.36) METAP2KEAP1MEN1KMT2AMAPT
SCHEMBL1645103 0.77 METAP2 (0.50) METAP2ALPLMEN1KMT2AMAPT
SCHEMBL989177 0.77 CA12 (0.42) ALDH1A1ALPLMEN1KMT2AMAPT
SCHEMBL8486152 0.77 LMNA (0.35) MEN1KMT2ALMNA
SCHEMBL9955 0.77 METAP2 (0.50) METAP2ALDH1A1CYP3A4TP53MEN1
SCHEMBL2765284 0.77 KMT2A (0.52) METAP2ALDH1A1ALPLMEN1KMT2A
SCHEMBL6599673 0.77 LMNA (0.32) MEN1KMT2ALMNA
SCHEMBL1260621 0.77 LMNA (0.32) MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253871-A1 CORROSION-RESISTANT CONDUCTIVE STRUCTURE AND CORROSION-RESISTANT COATING COMPOSITION TPK UNIVERSAL SOLUTIONS LIMITED (HK) 2021-08-19 US claimed
CN-111192857-A Corrosion-resistant conductive structure and corrosion-resistant coating composition 宸盛光电有限公司 2020-05-22 CN claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
CN-111601807-B Exo-azaspiro inhibitors of MENIN-MLL interactions 詹森药业有限公司 2023-03-31 CN disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-26 US disclosed
CN-111943889-B Bis-aryl amine compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-07-22 CN disclosed
CN-108697714-B Fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2022-04-26 CN disclosed
US-20210253871-A1 CORROSION-RESISTANT CONDUCTIVE STRUCTURE AND CORROSION-RESISTANT COATING COMPOSITION TPK UNIVERSAL SOLUTIONS LIMITED (HK) 2021-08-19 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
WO-2004046118-A2 2-4-(DI-PHENYL-AMINO)-PYRIMIDINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP disclosed
US-4699915-A ANTIULCER, ANTISECRETORY AGENTS ISTITUTO DE ANGELI S.P.A. (IT) 1987-10-13 US disclosed
US-4643993-A ANTISECRETORY AGENTS; ANTIULCER AGENTS ISTITUTO DE ANGELI S.P.A. (IT) 1987-02-17 US disclosed
EP-0105534-B1 SUBSTITUTED HETEROCYCLYLPHENYLSULPHONYL AND PHOSPHONYL AMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ISTITUTO DE ANGELI S.p.A. (IT) 1986-10-08 EP disclosed
EP-0105534-A1 Substituted heterocyclylphenylsulphonyl and phosphonyl amidines, process for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1984-04-18 EP disclosed
EP-0094727-A2 Substituted heterocyclyl phenylformamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-11-23 EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB METAP2 4072/4885ALDH1A1 1508/4885CYP3A4 3813/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS METAP2 4161/4885ALDH1A1 614/4885CYP3A4 2577/4885
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction BMI1, MLLT1, EED METAP2 3260/4885ALDH1A1 2583/4885CYP3A4 4259/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 METAP2 2228/4885ALDH1A1 2840/4885CYP3A4 4550/4885

“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.