SCHEMBL1509986

SCHEMBL1509986

COCOc1ccc(C)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL15255300 0.85 ACHE (0.42) ACHEALDH1A1CYP3A4L3MBTL1HPGD
SCHEMBL11996637 0.83 L3MBTL1 (0.47) MRGPRX4ACHEALDH1A1L3MBTL1HPGD
SCHEMBL8832399 0.82 CYP17A1 (0.45) ALDH1A1CYP3A4MEN1KMT2AFFAR1
SCHEMBL2475470 0.82 MEN1 (0.48) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL30802160 0.82 ACHE (0.52) ACHEALDH1A1CYP3A4L3MBTL1HPGD
SCHEMBL11890520 0.82 ACHE (0.52) ACHEALDH1A1CYP3A4L3MBTL1HPGD
SCHEMBL12773618 0.81 ALDH1A1 (0.35) MRGPRX4ACHEALDH1A1CYP3A4L3MBTL1
SCHEMBL29601399 0.80 HPGD (0.50) MRGPRX4ACHEALDH1A1L3MBTL1HPGD
SCHEMBL13905218 0.80 MRGPRX4 (0.48) MRGPRX4ACHEALDH1A1CYP3A4L3MBTL1
SCHEMBL130839 0.80 KDM1A (0.51) MRGPRX4ACHEALDH1A1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843856-A KRAS G12C inhibitor 米拉蒂治疗股份有限公司 2019-06-04 CN disclosed
US-9102871-B2 Liquid crystal compound showing negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-11 US disclosed
US-8765764-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2014-07-01 US disclosed
US-20130277610-A1 LIQUID CRYSTAL COMPOUND SHOWING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-10-24 US disclosed
US-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA, INC. (JP) 2013-03-28 US disclosed
EP-2314586-A1 2-Acylaminothiazole derivative or salt thereof Astellas Pharma Inc. (JP) 2011-04-27 EP disclosed
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-7335656-B2 Stent with a disposed traiazine compound such as 6-(3-Chloro-4-methoxy-phenoxy)-N-cycloheptyl-N'-methyl-N'-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4-diamine for inhibiting smooth muscle proliferation; restenosis and atherosclerosis REDDY US THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-7265114-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-09-04 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 EP 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-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 MRGPRX4 1166/4885ACHE 4868/4885ALDH1A1 2060/4885
US-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS MRGPRX4 2008/4885ACHE 4413/4885ALDH1A1 4407/4885
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 MRGPRX4 2432/4885ACHE 2637/4885ALDH1A1 1988/4885

“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.