SCHEMBL2073630

SCHEMBL2073630

Fn1[c]cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
CYP2A6 P11509 1/20 0.32
ALOX12 P18054 1/20 0.32
SLC6A2 P23975 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.30
CA9 Q16790 2/20 0.30
BRD4 O60885 1/20 0.30
BRPF1 P55201 1/20 0.30
KAT2B Q92831 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL137023 0.71 CA12 (0.39) CDK4CCND1CYP2A6ALOX12KMT2A
SCHEMBL3849038 0.71 CA12 (0.34) CDK4CCND1CYP2A6ALOX12KMT2A
SCHEMBL650735 0.71 NOS2 (0.34) CDK4CCND1CYP2A6ALOX12CA12
SCHEMBL2073401 0.71 CDK4 (0.32) CDK4CCND1CYP2A6ALOX12CA12
SCHEMBL570353 0.71 CDK4 (0.32) CDK4CCND1CYP2A6ALOX12CA12
SCHEMBL127255 0.71 DAO (0.35) CDK4CCND1CYP2A6ALOX12KMT2A
SCHEMBL718221 0.68 KDM4E (0.37) CDK4CCND1KMT2AALDH1A1
SCHEMBL2071020 0.67 SMN1; SMN2 (0.38) CYP2A6CA12CA9BRD4BRPF1
SCHEMBL4724354 0.67 SLC6A2 (0.35) SLC6A2CA12CA9BRD4BRPF1
SCHEMBL5497336 0.67 CYP1A2 (0.35) CDK4CCND1KMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166041-A 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma EURO-CELTIQUE, S.A. (LU) 2000-12-26 US claimed
US-20200384111-A1 MODIFIED CARBON NANOMATERIAL, NANOCLUSTER, SUBSTANCE DELIVERY CARRIER, AND PHARMACEUTICAL COMPOSITION NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-12-10 US disclosed
EP-3725331-A1 MODIFIED CARBON NANOMATERIAL, NANOCLUSTER, SUBSTANCE DELIVERY CARRIER, AND PHARMACEUTICAL COMPOSITION NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-10-21 EP disclosed
EP-2894685-B1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DAINIPPON INK & CHEMICALS (JP) 2018-10-31 EP disclosed
US-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC CORPORATION (JP) 2018-08-30 US disclosed
EP-3342769-A1 ORGANIC COMPOUND, METHOD FOR MANUFACTURING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME DIC Corporation (JP) 2018-07-04 EP disclosed
US-9490433-B2 Benzothienobenzothiophene derivative, organic semiconductor material, and organic transistor DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC CORPORATION (JP) 2015-08-13 US disclosed
EP-1976833-B1 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2015-07-29 EP disclosed
EP-2894685-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC Corporation (JP) 2015-07-15 EP disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
WO-2002042279-A1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 WO disclosed
US-6291464-B1 POTENTIATION OF THE CHOLINERGIC ACTIVITY; THERAPEUTIC TREATMENT OF AMNESIA, DEMENTIA OR SENILE DEMENTIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0968201-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-05 EP disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
US-5801147-A ADMINISTERING A POLYPEPTIDE AS AMIDE, ESTER OR SALT FOR NERVE ACTIVATION AND GASTRIC INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-01 US disclosed
WO-1998035951-A2 NEW AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-20 WO disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed
US-5623050-A NERVE ACTIVATING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-22 US disclosed
EP-0529487-A2 PACAP derivatives having c-AMP producing activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 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-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E CDK4 80/4885CCND1 622/4885CYP2A6 1283/4885
US-20180248131-A1 ORGANIC COMPOUND, METHOD FOR PREPARING SAME, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, AND ORGANIC TRANSISTOR CONTAINING SAME TST, SOAT1, SOAT2 CDK4 1769/4885CCND1 352/4885CYP2A6 2156/4885
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR CDK4 845/4885CCND1 814/4885CYP2A6 2445/4885
US-20200384111-A1 MODIFIED CARBON NANOMATERIAL, NANOCLUSTER, SUBSTANCE DELIVERY CARRIER, AND PHARMACEUTICAL COMPOSITION CHRM1, SLC67A1, NPSR1 CDK4 2478/4885CCND1 497/4885CYP2A6 252/4885

“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.