SCHEMBL3500932

SCHEMBL3500932

O=C(c1ccc(-n2cccn2)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
NOTUM Q6P988 1/20 0.50
DGAT1 O75907 2/20 0.47
CES1 P23141 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
MGLL Q99685 1/20 0.44
PDK2 Q15119 1/20 0.44
HDAC4 P56524 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
MLYCD O95822 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL3407808 0.82 PLOD2 (0.58) KDM4EALDH1A1MAPK1NOTUMDGAT1
Trifluoroacetic Acid SCHEMBL29356405 0.82 DGAT1 (0.47) KDM4EALDH1A1MAPK1NOTUMDGAT1
SCHEMBL17303476 0.81 NOTUM (0.58) KDM4EALDH1A1MAPK1NOTUMDGAT1
SCHEMBL321724 0.80 LMNA (0.61) KDM4EALDH1A1MAPK1NOTUMDGAT1
SCHEMBL609355 0.78 TP53 (0.68) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL1019716 0.78 NOTUM (0.59) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL323044 0.78 NOTUM (0.55) KDM4EALDH1A1MAPK1NOTUMTP53
SCHEMBL3502695 0.77 KDM4E (0.50) KDM4EALDH1A1MAPK1NOTUMDGAT1
SCHEMBL31638362 0.77 NOTUM (0.54) NOTUMCES1MLYCD
SCHEMBL2401139 0.77 NOTUM (0.53) KDM4EALDH1A1MAPK1NOTUMDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-8193228-B2 Substituted imidazole as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME LLC 2010-01-28 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-20100022598-A1 Substituted inmidazoles as bombesin receptor subtype-3 modulators BRS3, INSR, INSRR KDM4E 4463/4885ALDH1A1 4786/4885MAPK1 1553/4885

“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.