SCHEMBL17348356

SCHEMBL17348356

Cc1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
SDHB P21912 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 1/20 0.45
PTGS2 P35354 3/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 1/20 0.43
PSD A5PKW4 1/20 0.42

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
SCHEMBL2401818 0.86 KDM4E (0.49) KDM4EALDH1A1HSD17B10SMN1; SMN2MITF
SCHEMBL2402288 0.82 KCNH2 (0.42)
SCHEMBL3561619 0.78 KDM4E (0.68) KDM4EALDH1A1HSD17B10SMN1; SMN2MITF
SCHEMBL3557132 0.78 KDM4E (0.71) KDM4EALDH1A1HSD17B10SMN1; SMN2MITF
SCHEMBL3566799 0.78 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2SDHB
SCHEMBL19196245 0.78 PSD (0.46) PSD
SCHEMBL19196724 0.77
SCHEMBL19196271 0.77 MEN1 (0.47) LMNARAB9APOLB
SCHEMBL3561602 0.77 KDM4E (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2SDHB
SCHEMBL3567866 0.76 KDM4E (0.55) KDM4EALDH1A1HSD17B10SMN1; SMN2SDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-24 US disclosed
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 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 (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-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 KDM4E 2181/4885ALDH1A1 4541/4885HSD17B10 3296/4885
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 KDM4E 2181/4885ALDH1A1 4541/4885HSD17B10 3296/4885
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 KDM4E 2181/4885ALDH1A1 4541/4885HSD17B10 3296/4885

“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.