SCHEMBL10070511

SCHEMBL10070511

CCOC(=N)c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
DGAT1 O75907 1/20 0.37
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL10040529 0.86 CES2 (0.46) TSHRNPSR1HPGDMEN1KMT2A
SCHEMBL15591264 0.80 TSHR (0.49) TSHRNPSR1HPGDMEN1KMT2A
SCHEMBL10668208 0.79 DGAT1 (0.41) TSHRNPSR1HPGDMEN1KMT2A
SCHEMBL1997075 0.79 TSHR (0.60) TSHRNPSR1HPGDMEN1KMT2A
SCHEMBL5395342 0.78 KDM4E (0.49) TSHRNPSR1HPGDCES2CES1
SCHEMBL27642461 0.77 CES2 (0.44) TSHRNPSR1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL5378736 0.76 KDM4E (0.48) TSHRNPSR1HPGDCES2CES1
SCHEMBL15431117 0.76 CES2 (0.61) TSHRNPSR1HPGDMEN1KMT2A
SCHEMBL9005605 0.76 DGAT1 (0.41) HPGDMEN1KMT2AMAPK1LMNA
SCHEMBL7963098 0.76 HTR2C (0.40) TSHRHPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207199-B2 Azole compound ASTELLAS PHARMA INC. (JP) 2012-06-26 US disclosed
US-20110118311-A1 AZOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-05-19 US disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 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 (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-20110118311-A1 AZOLE COMPOUND FAAH, FAAH2, TRPV1 TSHR 4788/4885NPSR1 152/4885HPGD 608/4885

“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.