SCHEMBL5446248

SCHEMBL5446248

COc1ccc(CCC#N)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CA2 P00918 1/20 0.57
POLB P06746 1/20 0.56
CYP19A1 P11511 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
AOC3 Q16853 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
STAT3 P40763 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 1/20 0.50
HSP90AA1 P07900 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL4247817 0.86 KMT2A (0.48) ATMKDM4ECA2POLBCYP19A1
SCHEMBL11739917 0.85 ATM (0.61) ATMKDM4ECA2POLBCYP3A4
SCHEMBL12715638 0.84 ALDH1A1 (0.61) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL10667947 0.84 MAPT (0.48) ATMKDM4EPOLBKMT2AMEN1
SCHEMBL11801831 0.84 TSHR (0.63) CYP19A1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL23112147 0.84 MEN1 (0.47) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL12978347 0.84 MEN1 (0.47) ATMKDM4ECA2POLBCYP19A1
SCHEMBL14376706 0.82 CYP3A4 (0.77) KDM4ECYP1A2CYP3A4CYP2D6BLM
SCHEMBL7323520 0.82 PDE4B (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL16641094 0.82 CYP19A1 (0.77) ATMKDM4ECA2POLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101407474-B Preparation of 2-bromo-4,5-dimethoxy benzenepropanenitrile DONGHUA UNIVERSITY (CN) 2011-12-14 CN claimed
CN-101407474-A Preparation of 2-bromo-4,5-dimethoxy benzenepropanenitrile UNIV DONGHUA (CN) 2009-04-15 CN claimed
EP-0357565-A2 New process for the synthesis of the levodopa MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1990-03-07 EP claimed
EP-3761950-B1 BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY IOULIA & IRENE TSETI PHARMACEUTICAL LABORATORIES IND AND COMMERCIAL S A (GR) 2025-04-09 EP disclosed
CN-118112888-A Colored photosensitive resin composition, color filter and display panel 吉林奥来德光电材料股份有限公司 2024-05-31 CN disclosed
US-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2023-04-27 US disclosed
EP-3761950-A1 BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY IOULIA AND IRENE TSETI Pharmaceutical Laboratories S.A. (GR) 2021-01-13 EP disclosed
WO-2019171088-A1 BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY NATIONAL HELLENIC RESEARCH FOUNDATION (GR) 2019-09-12 WO disclosed
WO-2019171088-A1 BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY NATIONAL HELLENIC RESEARCH FOUNDATION (GR) 2019-09-12 WO disclosed
US-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression UNIVERSITY OF SOUTH ALABAMA (US) 2018-08-07 US disclosed
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION UNIVERSITY OF SOUTH ALABAMA (US) 2016-05-26 US disclosed
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
EP-1720846-A1 USE OF THIADIAZOLE UREA DERIVATIVES MERCK PATENT GmbH (DE) 2006-11-15 EP disclosed
WO-2005085220-A1 USE OF THIADIAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2005-09-15 WO disclosed
EP-0357565-A3 NEW PROCESS FOR THE SYNTHESIS OF THE LEVODOPA MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-09-25 EP disclosed
EP-0357565-A2 New process for the synthesis of the levodopa MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1990-03-07 EP disclosed
US-4900836-A (3-amino-1H-pyrazol-4-yl) (aryl)methanones AMERICAN CYANAMID COMPANY (US) 1990-02-13 US disclosed
US-4129580-A Resolution of certain asymmetric primary amines using lasalocid HOFFMANN-LA ROCHE INC. (US) 1978-12-12 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 (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-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression PDE4A, PDE7B, PDE2A ATM 1516/4885KDM4E 2333/4885CA2 1882/4885
US-20230130823-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF BAD, BAX, PDCD4 ATM 4020/4885KDM4E 3087/4885CA2 3093/4885
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION PDE4A, PDE7B, PDE2A ATM 1516/4885KDM4E 2333/4885CA2 1882/4885
US-20070191353-A1 Use of thiadiazoleurea derivatives RAF1, ARAF, JAK1 ATM 91/4885KDM4E 4039/4885CA2 3928/4885

“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.