SCHEMBL328971

SCHEMBL328971

N#Cc1[c]cccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MCL1 Q07820 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16953010 0.85 TSHR (0.31) TSHRKDM4EALDH1A1
SCHEMBL16960095 0.85 TSHR (0.35) TSHRKDM4EALDH1A1MCL1
SCHEMBL1191251 0.74
SCHEMBL350376 0.74
SCHEMBL979388 0.74
SCHEMBL351061 0.74
SCHEMBL8882005 0.74
SCHEMBL16955460 0.74
SCHEMBL351330 0.74
SCHEMBL979387 0.74

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 1262 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386923-B Carbazole compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2022-05-27 CN claimed
CN-110396081-B Heterocyclic compound based on carbazole and fluorene, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2021-12-31 CN claimed
CN-112480177-A Luminescent diaza-, monoaza-and benzo-imidazole metal carbene complexes for use in electronic devices and methods for their preparation UDC 爱尔兰有限责任公司 2021-03-12 CN claimed
CN-111825660-A Compound, thermal activation delayed fluorescence material, organic electroluminescent device and application 北京鼎材科技有限公司 2020-10-27 CN claimed
CN-111320607-A Organic compound with triphenylene-containing polycyclic heteroaromatic group as core and application thereof 机光科技股份有限公司 2020-06-23 CN claimed
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US claimed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US claimed
US-10290817-B2 Luminescent diaza-monoaza-and benzimidazole metal carbene complexes for use in electronic devices such as OLEDs UDC IRELAND LIMITED (IE) 2019-05-14 US claimed
US-10087541-B2 Method of forming a dielectric through electrodeposition on an electrode for a capacitor UNIVERSITY OF TARTU (EE) 2018-10-02 US claimed
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-09-04 US claimed
WO-2004089888-A1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2004-10-21 WO claimed
WO-2004089931-A1 SUBSTITUTED PYRAZOLES MERCK PATENT GMBH (DE) 2004-10-21 WO claimed
WO-2004089932-A1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2004-10-21 WO claimed
WO-2004089910-A1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2004-10-21 WO claimed
WO-2004072087-A2 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2004-08-26 WO claimed
EP-1419128-A1 IMPROVED HYDROLYTIC KINETIC RESOLUTION OF EPOXIDES Rhodia Pharma Solution Inc., (formally Rhodia Chirex Inc.) (US) 2004-05-19 EP claimed
US-6693206-B2 USING COBALT COMPLEX CATALYST RHODIA CHIREX, INC. 2004-02-17 US claimed
US-20030073855-A1 Hydrolytic kinetic resolution of epoxides RHODIA CHIREX, INC. 2003-04-17 US claimed
WO-2003018520-A1 IMPROVED HYDROLYTIC KINETIC RESOLUTION OF EPOXIDES RHODIA PHARMA SOLUTIONS INC. (US) 2003-03-06 WO claimed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed

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-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 TSHR 477/4885KDM4E 3829/4885ALDH1A1 3468/4885
US-10290817-B2 Luminescent diaza-monoaza-and benzimidazole metal carbene complexes for use in electronic devices such as OLEDs OCIAD1, OCIAD2, OXA1L TSHR 3295/4885KDM4E 2664/4885ALDH1A1 857/4885
US-20030073855-A1 Hydrolytic kinetic resolution of epoxides EPHX2, EPHX1, POR TSHR 4250/4885KDM4E 443/4885ALDH1A1 325/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 TSHR 477/4885KDM4E 3829/4885ALDH1A1 3468/4885

“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.