SCHEMBL12112554

SCHEMBL12112554

COc1cc(-c2cn(C)c(-c3ccccc3)n2)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.49
KDM4E B2RXH2 4/20 0.49
USP2 O75604 2/20 0.49
LMNA P02545 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL12112567 0.91 TSHR (0.46) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL12111241 0.88 MRGPRX4 (0.48) TSHRNPC1RAB9AMAPTLMNA
SCHEMBL30149961 0.88 KDM4E (0.57) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL30149970 0.88 KDM4E (0.57) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL12848495 0.80 RAB9A (0.70) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL12848935 0.80 ALDH1A3 (0.58) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL30149965 0.79 PDE3B (0.66) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL12111237 0.79 PPARD (0.45)
SCHEMBL12848890 0.79 KDM4E (0.50) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL30149966 0.79 RAB9A (0.60) TSHRNPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329739-B2 Phenylimidazole compounds OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2012-12-11 US disclosed
US-20110275823-A1 PHENYLIMIDAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2011-11-10 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-20110275823-A1 PHENYLIMIDAZOLE COMPOUNDS GPR119, PNLIP, LPL TSHR 294/4885NPC1 80/4885RAB9A 3868/4885

“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.