SCHEMBL8921670

SCHEMBL8921670

[C-]#[N+]c1ccc(C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.37
CD44 P16070 1/20 0.34
MAPT P10636 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL29954363 1.00 CYP3A4 (0.46) CYP3A4ALDH1A1APOBEC3GRAPGEF4CD44
SCHEMBL12887727 0.82 CD44 (0.34) CYP3A4CD44PKMSMN1; SMN2CYP2D6
SCHEMBL2916024 0.78 AHR (0.43) CYP3A4ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL6065091 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL29353234 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL12246987 0.74
SCHEMBL9607652 0.73 HSD17B10 (0.50) CYP3A4ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL12446580 0.73 MEN1 (0.38) CYP3A4ALDH1A1RAPGEF4MAPTGAA
SCHEMBL12619112 0.73 MAPT (0.35) ALDH1A1MAPTGAANPC1SMN1; SMN2
SCHEMBL10106234 0.73 TSHR (0.50) CYP3A4ALDH1A1CD44MAPTGAA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 WO disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-9643952-B2 Pyridone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-05-09 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 US disclosed
US-20150315172-A1 PYRIDONE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-11-05 US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2007-03-08 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 (9 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-20070054917-A1 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GRIN2A, GRIK5, GRIN2C CYP3A4 1253/4885ALDH1A1 502/4885APOBEC3G 3407/4885
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 CYP3A4 478/4885ALDH1A1 1338/4885APOBEC3G 4077/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 CYP3A4 144/4885ALDH1A1 565/4885APOBEC3G 3338/4885
US-20150315172-A1 PYRIDONE COMPOUND HRH4, HRH3, HRH1 CYP3A4 422/4885ALDH1A1 443/4885APOBEC3G 3895/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP3A4 910/4885ALDH1A1 265/4885APOBEC3G 4691/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 CYP3A4 478/4885ALDH1A1 1338/4885APOBEC3G 4077/4885
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM2, PIM1, CDK2 CYP3A4 3162/4885ALDH1A1 4066/4885APOBEC3G 4564/4885
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 CYP3A4 914/4885ALDH1A1 4563/4885APOBEC3G 2575/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP3A4 236/4885ALDH1A1 475/4885APOBEC3G 3569/4885

“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.