SCHEMBL2777042

SCHEMBL2777042

O=C(O)c1nc2ccccc2cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MGAM O43451 2/20 0.47
CLK1 P49759 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GLA P06280 2/20 0.45
HPGD P15428 1/20 0.45
ACHE P22303 1/20 0.45
PIM1 P11309 2/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 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
SCHEMBL28327975 0.84 CNR2 (0.51) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL25359333 0.84 IKBKB (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL30832203 0.84 IKBKB (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL3199567 0.84 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL30556744 0.80 DYRK1A (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8802100 0.80 DYRK1A (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL18795093 0.80 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30693766 0.80 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL27632420 0.80 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL70017 0.79 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141883-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-09 WO claimed
US-20250115578-A1 AROMATIC FUSED RING NAV1.8 INHIBITOR, AND USE THEREOF CHENGDU KANGHONG PHARMACEUTICAL CO., LTD. (CN) 2025-04-10 US disclosed
EP-4455130-A1 AROMATIC FUSED RING NAV1.8 INHIBITOR, AND USE THEREOF Chengdu Kanghong Pharmaceutical Co., Ltd. (CN) 2024-10-30 EP disclosed
WO-2023138599-A1 AROMATIC FUSED RING NAV1.8 INHIBITOR, AND USE THEREOF 成都康弘药业集团股份有限公司 2023-07-27 WO disclosed
CN-116462662-A Aromatic ring Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2023-07-21 CN disclosed
CN-108430986-B Fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2021-08-31 CN disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 US disclosed
US-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 US disclosed
EP-3368521-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-09-05 EP disclosed
CN-108430986-A fused bicyclic heterocyclic derivatives as pest control agents 拜耳作物科学股份公司 2018-08-21 CN disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 WO disclosed
CN-104592197-A Preparation method of besifloxacin hydrochloride GUANGXI RENHENG PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO LTD 2015-05-06 CN disclosed
CN-1751025-B Diamine derivatives DAIICHI SEIYAKU CO 2010-05-12 CN disclosed
EP-0538100-B1 Process for the preparation of fluoro-quinolin-3-carboxylic acid derivatives AVENTIS PHARMA SA (FR) 2002-02-06 EP disclosed
CN-1027369-C Excitatory amino acid antagonists MERRELL DOW PHARMA (US) 1995-01-11 CN disclosed
CN-1047292-A EAA antagonists MERRELL DOW PHARMA (US) 1990-11-28 CN 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 (3 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-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE ALDH1A1 468/4885MAPT 2284/4885SMN1; SMN2 3061/4885
US-20250115578-A1 AROMATIC FUSED RING NAV1.8 INHIBITOR, AND USE THEREOF SCN8A, SCN10A, SCN7A ALDH1A1 3194/4885MAPT 1605/4885SMN1; SMN2 794/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE ALDH1A1 468/4885MAPT 2284/4885SMN1; SMN2 3061/4885

“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.