SCHEMBL999130

SCHEMBL999130

Cc1cc(C)cc(NC(=O)N2CCc3c([nH]c4ncccc34)C2c2ccc(F)cc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
SHMT2 P34897 1/20 0.47
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
STAT3 P40763 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LHCGR P22888 1/20 0.41
KIF11 P52732 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
SCHEMBL995264 0.93 POLB (0.51) TP53SHMT2MAPTPOLBRAB9A
SCHEMBL997584 0.92 TP53 (0.60) TP53SHMT2MAPTPOLBRAB9A
SCHEMBL998517 0.90 TP53 (0.53) TP53SHMT2MAPTPOLBRAB9A
SCHEMBL997779 0.89 KIF11 (0.50) TP53SHMT2MAPTPOLBMEN1
SCHEMBL998604 0.89 TP53 (0.49) TP53SHMT2MAPTPOLBSTAT3
SCHEMBL998212 0.89 TP53 (0.54) TP53MAPTPOLBMEN1KMT2A
SCHEMBL996842 0.87 TP53 (0.50) TP53SHMT2MAPTPOLBMEN1
SCHEMBL997680 0.86 STAT3 (0.47) TP53MAPTPOLBRAB9AKDM4E
SCHEMBL1000507 0.86 TP53 (0.51) TP53SHMT2MAPTPOLBMEN1
SCHEMBL998433 0.85 MAPT (0.49) TP53SHMT2MAPTPOLBKDM4E

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 TP53 945/4885SHMT2 579/4885MAPT 4705/4885

“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.