SCHEMBL1032880

SCHEMBL1032880

NCCOc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
HTR1B P28222 1/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
RAB9A P51151 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.51
HPGD P15428 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTT P42858 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
Hydrochloric Acid SCHEMBL6492504 0.98 KDM4E (0.72) KDM4EHTR1BL3MBTL1RAB9AMAPK1
SCHEMBL1249120 0.89 HTR1B (0.56) KDM4EHTR1BL3MBTL1RAB9AMAPK1
Hydrochloric Acid SCHEMBL14830577 0.88 KDM4E (0.57) KDM4EHTR1BL3MBTL1RAB9AMAPT
SCHEMBL11708352 0.88 L3MBTL1 (0.59) KDM4EHTR1BL3MBTL1RAB9AMAPK1
SCHEMBL9808263 0.86 L3MBTL1 (0.68) L3MBTL1RAB9AMAPK1MAPTMEN1
SCHEMBL7975151 0.86 L3MBTL1 (0.57) KDM4EHTR1BL3MBTL1RAB9AMAPT
SCHEMBL31050988 0.84 KDM4E (0.95) KDM4EHTR1BL3MBTL1RAB9AMAPK1
SCHEMBL8834938 0.84 KDM4E (0.95) KDM4EHTR1BL3MBTL1RAB9AMAPK1
SCHEMBL1683000 0.83 KDM4E (0.57) KDM4EHTR1BL3MBTL1RAB9AMAPK1
SCHEMBL10458296 0.83 L3MBTL1 (0.55) L3MBTL1RAB9AMAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-20030055066-A1 Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain LIN, TONG-HO (TW) 2003-03-20 US claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
CN-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed
CN-109563073-B For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds 诺罗利西斯公司 2021-12-07 CN disclosed
EP-2925744-B1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2020-12-30 EP disclosed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-08 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
EP-0004920-B1 DERIVATIVES OF CARBAZOLYL-4-OXYPROPANOLAMINE, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-08-05 EP disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 US disclosed
EP-0004920-A1 Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1979-10-31 EP disclosed
US-4119729-A TREATMENT OF HYPERTENSION MEAD JOHNSON & COMPANY (US) 1978-10-10 US disclosed
US-4067904-A ANTIARRHYTHMIA, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1978-01-10 US disclosed
US-4054662-A Phenoxyalkylamine containing pyridines having blood pressure reducing properties BEIERSDORF AKTIENGESELLSCHAFT (DT) 1977-10-18 US disclosed
US-4005096-A HYPOTENSIVES BIERSDORF AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3960878-A HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DT) 1976-06-01 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 (6 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-20030055066-A1 Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain KCNH2, ADRB3, KCNH3 KDM4E 3423/4885HTR1B 195/4885L3MBTL1 3381/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS KDM4E 2454/4885HTR1B 3343/4885L3MBTL1 2508/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT KDM4E 3971/4885HTR1B 4518/4885L3MBTL1 3507/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT KDM4E 3971/4885HTR1B 4518/4885L3MBTL1 3507/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 KDM4E 829/4885HTR1B 33/4885L3MBTL1 4342/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT KDM4E 3971/4885HTR1B 4518/4885L3MBTL1 3507/4885

“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.