SCHEMBL1238549

SCHEMBL1238549

CCCNN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
Water SCHEMBL28818080 0.97 GNAI3 (0.39) GNAI3GNAO1GNAI1MEN1KMT2A
Ethane SCHEMBL4231792 0.97 GNAI3 (0.39) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL3326166 0.97
Water SCHEMBL27995849 0.95 GNAI3 (0.41) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL28503023 0.92
SCHEMBL8778709 0.86 GNAI3 (0.45) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL20000752 0.86
SCHEMBL3108678 0.85 GNAI3 (0.52) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL13450968 0.85 GNAI3 (0.52) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL3113034 0.83 GNAI3 (0.60) GNAI3GNAO1GNAI1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874286-A Compound for degrading BTK kinase, pharmaceutical composition and pharmaceutical application thereof 四川海思科制药有限公司 2022-08-09 CN claimed
CN-103420898-A Diaryl piperidine derivatives and applications thereof as multiple-target-point antidepressants SHANGHAI INST PHARM INDUSTRY 2013-12-04 CN claimed
US-8431609-B2 Process for preparation of pyrazole derivatives SHAH DARMESH MAHENDRABHAI (IN) 2013-04-30 US claimed
US-8148402-B2 Isoindolinone derivatives having inhibitory activity against T-type calcium channel and method for preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-04-03 US claimed
US-20100190988-A1 PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES SHAH DARMESH MAHENDRABHAI 2010-07-29 US claimed
WO-2010005148-A2 NOVEL ISOINDOLINONE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST T-TYPE CALCIUM CHANNEL AND METHOD FOR PREPARATION THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-01-14 WO claimed
US-20100004286-A1 NOVEL ISOINDOLINONE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST T-TYPE CALCIUM CHANNEL AND METHOD FOR PREPARATION THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-01-07 US claimed
WO-2008102367-A1 PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES SHAH DARMESH MAHENDRABHAI (IN) 2008-08-28 WO claimed
US-20060292326-A1 Optical data store comprising a cobalt phthalocyanine with an axial substituent and axial ligand in an information photoinscribtible layer LANXESS DEUTSCHLAND GMBH (DE) 2006-12-28 US claimed
EP-1563014-A1 OPTICAL DATA MEMORIES COMPRISING COBALT PHTALOCYANIN WITH AN AXIAL SUBSTITUENT AND AXIAL LIGAND IN AN INFORMATION PHOTOINSCRIBTIBLE LAYER LANXESS Deutschland GmbH (DE) 2005-08-17 EP claimed
WO-2004046253-A1 OPTICAL DATA MEMORIES COMPRISING COBALT PHTALOCYANIN WITH AN AXIAL SUBSTITUENT AND AXIAL LIGAND IN AN INFORMATION PHOTOINSCRIBTIBLE LAYER LANXESS DEUTSCHLAND GMBH (DE) 2004-06-03 WO claimed
US-6713146-B2 SINGLY RECORDABLE COMPACT DISC (CD-R) BAYER AKTIENGESELLSCHAFT (DE) 2004-03-30 US claimed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US claimed
EP-0064445-B1 N-SUBSTITUTED 2,4-DIALKOXYBENZENE SULFON AMIDES CHOAY S.A. (FR) 1984-10-24 EP claimed
EP-0064445-A1 N-substituted 2,4-dialkoxybenzene sulfon amides CHOAY S.A. (FR) 1982-11-10 EP claimed
JP-59027870-A None JP disclosed
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 US disclosed
US-4113709-A Polyquaternary polythiazines PETROLITE CORPORATION (US) 1978-09-12 US disclosed
US-4001224-A 4-SUBSTITUTED-2, 3-DIHYDRO-1-BENZOXEPIN-3, 5-DIONES AND TAUTOMERS WARNER-LAMBERT COMPANY (US) 1977-01-04 US disclosed
US-3991082-A 4-Substituted-2,3-dihydro-1-benzoxepin-3,5-diones and tautomers WARNER-LAMBERT COMPANY (US) 1976-11-09 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-20100190988-A1 PROCESS FOR PREPARATION OF PYRAZOLE DERIVATIVES PDXK, PYCR1, PPOX GNAI3 1681/4885GNAO1 1947/4885GNAI1 2198/4885
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 GNAI3 416/4885GNAO1 1921/4885GNAI1 294/4885
US-20100004286-A1 NOVEL ISOINDOLINONE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST T-TYPE CALCIUM CHANNEL AND METHOD FOR PREPARATION THEREOF CACNA1I, CACNA1G, CACNA1E GNAI3 948/4885GNAO1 1217/4885GNAI1 687/4885

“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.