SCHEMBL3677458

SCHEMBL3677458

Fc1ccc2cccnc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HTT P42858 3/20 0.59
CYP1A2 P05177 2/20 0.59
CASP1 P29466 2/20 0.59
MEN1 O00255 1/20 0.59
CASP7 P55210 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2C19 P33261 1/20 0.59
NR4A2 P43354 1/20 0.59
CYP2A6 P11509 1/20 0.48
NPC1 O15118 3/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
CYP3A4 P08684 3/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL29714436 1.00 ALDH1A1 (0.59) ALDH1A1HTTCYP1A2CASP1MEN1
Ammonia Solution, Strong SCHEMBL27522208 0.98 ALDH1A1 (0.57) ALDH1A1HTTCYP1A2CASP1MEN1
Quinoline SCHEMBL28192735 0.94 ALDH1A1 (0.65) ALDH1A1HTTCYP1A2CASP1MEN1
Hydrochloric Acid SCHEMBL4066414 0.83 NPC1 (0.53) ALDH1A1HTTCYP1A2CASP1MEN1
SCHEMBL2170490 0.83 NPC1 (0.63) ALDH1A1HTTCYP1A2CASP1MEN1
SCHEMBL18805060 0.83 NPC1 (0.63) ALDH1A1HTTCYP1A2CASP1MEN1
Hydrochloric Acid SCHEMBL30444610 0.81 NPC1 (0.61) ALDH1A1HTTCYP1A2CASP1MEN1
Ethane SCHEMBL27315969 0.79 ALDH1A1 (0.60) ALDH1A1HTTCYP1A2CASP1MEN1
SCHEMBL3726615 0.77 NPC1 (0.68) ALDH1A1HTTCYP1A2CASP1MEN1
SCHEMBL29485612 0.77 NPC1 (0.68) ALDH1A1HTTCYP1A2CASP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108107142-B Analysis method of surfactant in wax removal water 上海微谱化工技术服务有限公司 2020-05-22 CN claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
US-11696496-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-04 US disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
CN-115703766-A GLP-1 receptor agonists and uses thereof 天地恒一制药股份有限公司 2023-02-17 CN disclosed
CN-107312009-B Quinoline compound, preparation method, intermediate, pharmaceutical composition and application thereof 上海医药集团股份有限公司 2022-09-20 CN disclosed
EP-3183757-B1 ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM CLAP CO LTD (KR) 2022-05-04 EP disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
EP-0326331-A2 Substituted quinolines and cinnolines DowElanco (US) 1989-08-02 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-3988155-A CYANINE SENSITIZING DYES FUJI PHOTO FILM CO., LTD. (JA) 1976-10-26 US disclosed
US-3985563-A Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1976-10-12 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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4633/4885HTT 2463/4885CYP1A2 4727/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR ALDH1A1 4757/4885HTT 2419/4885CYP1A2 2553/4885

“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.