SCHEMBL2632726

SCHEMBL2632726

CC(=O)c1cccc2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.68
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.54
ALOX12 P18054 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MMP2 P08253 2/20 0.52
TSHR P16473 2/20 0.52
CHRM1 P11229 1/20 0.52
COMT P21964 1/20 0.52
ADRA1A P35348 1/20 0.52
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL30144797 1.00 PARP1 (0.68) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL1765845 0.84 PARP1 (0.61) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL28050846 0.84 PARP1 (0.72) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL111826 0.82 PARP1 (0.70) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL29749881 0.82 PARP1 (0.70) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL9701377 0.81 PARP1 (0.58) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL15866503 0.81 PARP1 (0.68) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL460456 0.81 PARP1 (1.00) PARP1NPC1RAB9ACASP3SENP8
Hydrochloric Acid SCHEMBL7320778 0.81 PARP1 (0.68) PARP1NPC1RAB9ACASP3SENP8
SCHEMBL4507521 0.81 PARP1 (0.68) PARP1NPC1RAB9ACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO 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
CN-102617457-A New method for preparing roflumilast TIANJIN INST PHARM RESEARCH 2012-08-01 CN claimed
CN-119019327-A Acetylation method of quinoline or isoquinoline compounds 常州工程职业技术学院 2024-11-26 CN disclosed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO disclosed
EP-4306613-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS AND ELECTRONIC DEVICE INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-01-17 EP disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
EP-4116303-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER Loxo Oncology, Inc. (US) 2023-01-11 EP disclosed
US-20220411440-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-29 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-113214149-B Synthesis method of phenyl (quinoline-8-yl) ketone derivative 江苏师范大学 2022-08-02 CN disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US disclosed
WO-2003099776-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES AMGEN INC. (US) 2003-12-04 WO disclosed
EP-0022608-B1 PROCESS FOR THE PREPARATION OF CYCLOPROPANE CARBOXYLIC ACID ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-06 EP disclosed
US-4344894-A TRANSITION METAL COMPLEX OF SCHIFF BASES AS CATALYSTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-17 US disclosed
US-4288387-A REACTION OF A HALOGENOPENTENE OR HEXENE WITH A DIAZOACETIC ESTER IN THE PRESENCE OF CATALYST WHICH IS METALLIC COPPER, A COPPER SALT, A RHODIUM SALT, OR A TRANSITION METAL COMPLEX OF A CHIRAL SCHIFF BASE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-08 US disclosed
EP-0023075-A1 Process for the preparation of cyclopropane carboxylic acid esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
EP-0022608-A1 Process for the preparation of cyclopropane carboxylic acid esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-21 EP disclosed
US-3956420-A CPOLYOLEFIN COMPOSITION FOR ELECTRICAL INSULATIONFERROCENE, 8-SUBSTITUTED QUINOLINE DAINICHI-NIPPON CABLES, LTD. (JA) 1976-05-11 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 (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-20040082625-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR PARP1 3212/4885NPC1 2679/4885RAB9A 1106/4885
US-20220411440-A1 GLYCOSIDASE INHIBITORS GAA, ENGASE, GBA3 PARP1 1179/4885NPC1 386/4885RAB9A 730/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR PARP1 4793/4885NPC1 917/4885RAB9A 1863/4885

“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.