SCHEMBL4947302

SCHEMBL4947302

O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KCNMA1 Q12791 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL17826958 0.81 AURKA (0.48) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL4922308 0.81 L3MBTL1 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5436840 0.80 HSP90AA1 (0.64) HSP90AA1MEN1KMT2AMAPTCYP1A2
SCHEMBL2279270 0.80 ALDH1A1 (0.52) MEN1KMT2AL3MBTL1POLBLMNA
SCHEMBL16657387 0.77 L3MBTL1 (0.50) CYP1A2CYP3A4L3MBTL1POLBHRH3
SCHEMBL4930459 0.77 L3MBTL1 (0.49) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL15070016 0.75 KMT2A (0.60) HSP90AA1MEN1KMT2AMAPTCYP1A2
SCHEMBL30917191 0.75 KMT2A (0.60) HSP90AA1MEN1KMT2AMAPTCYP1A2
SCHEMBL6840348 0.74 KMT2A (0.53) HSP90AA1MEN1KMT2AMAPTCYP1A2
SCHEMBL10954922 0.74 POLB (0.63) MEN1KMT2AMAPTCYP1A2CYP2C9

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-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 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-20080076810-A1 Benzoureas Having Anti-Diabetic Activity PPARD, PPARG, GPR119 HSP90AA1 1093/4885MEN1 4832/4885KMT2A 1230/4885

“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.