SCHEMBL996597

SCHEMBL996597

Cc1cc(C)cc(NC(=O)N2C(c3cccc(F)c3)c3[nH]c4cccnc4c3CC23CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
HCRTR1 O43613 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR2 P41597 1/20 0.34
TP53 P04637 2/20 0.33
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 3/20 0.33
USP2 O75604 2/20 0.33
LHCGR P22888 1/20 0.33
ALOX15 P16050 1/20 0.33
TNKS O95271 3/20 0.33
CYP3A4 P08684 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL998439 0.90 KIF11 (0.37) KIF11SLC40A1KMT2AMAPK1TP53
SCHEMBL999384 0.89 KIF11 (0.37) KIF11MAPK1TP53DRD4ALDH1A1
SCHEMBL996764 0.88 KIF11 (0.36) KIF11MAPK1TP53DRD4ALDH1A1
SCHEMBL999103 0.85 KIF11 (0.40) KIF11LMNASLC40A1TP53CYP2D6
SCHEMBL998800 0.85 KIF11 (0.39) KIF11LMNASLC40A1TP53ALDH1A1
SCHEMBL998662 0.85 KIF11 (0.39) KIF11MAPK1TP53DRD4ALDH1A1
SCHEMBL997862 0.85 KIF11 (0.41) KIF11MAPK1TP53DRD4ALDH1A1
SCHEMBL1047389 0.84 KIF11 (0.51) KIF11LMNAKMT2ATP53LHCGR
SCHEMBL998098 0.82 KIF11 (0.37) KIF11KMT2AMAPK1TP53DRD4
SCHEMBL1000672 0.81 KIF11 (0.40) KIF11LMNASLC40A1HCRTR1KMT2A

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KIF11 4760/4885LMNA 528/4885SLC40A1 464/4885

“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.