SCHEMBL9895537

SCHEMBL9895537

N#Cc1ccccc1Oc1ccc2c(nnn2CCCC(F)(F)F)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL9896376 0.87 GRM2 (0.34) GRM2KDM4ELMNANPSR1MEN1
SCHEMBL9896697 0.81 GRM2 (0.37) GRM2NPC1RAB9AUSP2MAPK1
SCHEMBL9895919 0.80 GRM2 (0.36) GRM2KDM4EMAPT
SCHEMBL8511080 0.78 GRM2 (0.41) GRM2NPC1RAB9AALDH1A1LMNA
SCHEMBL9896489 0.78 GRM2 (0.36) GRM2
SCHEMBL9895696 0.78 GRM2 (0.36) GRM2
SCHEMBL9897929 0.77 GRM2 (0.33) GRM2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9898129 0.74 GRM4 (0.33) GRM2HTR2C
SCHEMBL9895205 0.72 ROCK2 (0.39) GRM2
SCHEMBL9896777 0.72 GRM2 (0.34) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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 (1 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885NPC1 2352/4885RAB9A 4168/4885

“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.