SCHEMBL6208384

SCHEMBL6208384

C#Cc1cccc(-n2c(C)ccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
ALOX15 P16050 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
POLB P06746 2/20 0.47
NR4A1 P22736 2/20 0.47
MYC P01106 2/20 0.47
USP2 O75604 2/20 0.47
GAA P10253 2/20 0.47
HSPA1A P0DMV8 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17934780 0.74 KDM4E (0.53) KDM4EMEN1KMT2APOLBL3MBTL1
SCHEMBL25615106 0.74 CHRNA3 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL31253182 0.74 KDM4E (0.53) KDM4EMEN1KMT2APOLBL3MBTL1
SCHEMBL14036344 0.73 ALDH1A1 (0.63) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1502312 0.71 CA12 (0.54) MEN1KMT2ATDP1LMNACA12
SCHEMBL835437 0.70
SCHEMBL29666180 0.70
SCHEMBL13779281 0.69 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5083720 0.69 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3547390 0.69 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
CN-1257894-C Phenylethenyl or phenylethynyl derivatives as glutamate receptor antagonists HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
US-6972299-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMANN-LA ROCHE INC. (US) 2005-12-06 US disclosed
US-6927232-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMAN-LA ROCHE INC. (US) 2005-08-09 US disclosed
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP disclosed
US-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2005-06-16 US disclosed
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP disclosed
US-6706707-B2 TREATMENT OR PREVENTION OF MGLUR5 RECEPTOR MEDIATED DISORDERS. HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
CN-1478080-A Phenylethenyl or phenylethinyl derivatives as glutamate receptor antagonists - 2004-02-25 CN disclosed
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-12-04 US disclosed
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-11-06 US disclosed
EP-1349839-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles F.HOFFMANN-LA ROCHE AG (CH) 2002-09-12 US disclosed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 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 (5 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-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM6 KDM4E 1569/4885ALDH1A1 3153/4885MEN1 3297/4885
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 KDM4E 1400/4885ALDH1A1 2819/4885MEN1 3978/4885
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 KDM4E 1673/4885ALDH1A1 963/4885MEN1 606/4885
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 KDM4E 1400/4885ALDH1A1 2819/4885MEN1 3978/4885
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, HRH4 KDM4E 2022/4885ALDH1A1 2558/4885MEN1 3881/4885

“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.