SCHEMBL2814868

SCHEMBL2814868

CC(C)(C#N)c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.44
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
VCAM1 P19320 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 3/20 0.39
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2816811 0.83 ALDH1A1 (0.45) PDE7AALDH1A1VCAM1MEN1KMT2A
SCHEMBL21398693 0.82 MEN1 (0.53) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL29130865 0.82 AKR1C3 (0.44) PDE7AALDH1A1POLBMEN1KMT2A
SCHEMBL1999857 0.82 PDE7A (0.54) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL2815590 0.81 ALDH1A1 (0.53) PDE7AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22165266 0.81 ALDH1A1 (0.53) PDE7AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL2814724 0.80 ALDH1A1 (0.41) ALDH1A1POLBVCAM1MEN1KMT2A
SCHEMBL7762897 0.80 ALDH1A1 (0.41) ALDH1A1VCAM1MEN1KMT2AHTT
SCHEMBL2815627 0.80 HSD17B10 (0.51) PDE7AALDH1A1VCAM1MEN1KMT2A
SCHEMBL2816057 0.80 VCAM1 (0.55) ALDH1A1VCAM1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 EP disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 EP disclosed
CN-107250110-B Novel compounds as inhibitors of transfection Rearrangement (RET) 葛兰素史克知识产权发展有限公司 2020-04-24 CN disclosed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 US disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 US disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 US disclosed
CN-107250110-A The noval chemical compound of (RET) inhibitor is reset as transfection 葛兰素史克知识产权发展有限公司 2017-10-13 CN disclosed
EP-3191449-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-07-19 EP disclosed
WO-2016037578-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-17 WO disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO 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 (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-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors RET, FER, THRB PDE7A 1356/4885ALDH1A1 2176/4885POLB 4622/4885
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB PDE7A 1507/4885ALDH1A1 2779/4885POLB 4687/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG PDE7A 2039/4885ALDH1A1 1769/4885POLB 3820/4885
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB PDE7A 1507/4885ALDH1A1 2779/4885POLB 4687/4885

“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.