SCHEMBL7108384

SCHEMBL7108384

Cc1ccc(-n2c(-c3cccnc3)nc3ccc(OCCCCC(N)=O)cc32)cc1.Cc1ccc(-n2c(-c3cccs3)nc3ccc(OCCCCCC(=O)O)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
G6PD P11413 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PLA2G2A P14555 2/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PPARD Q03181 1/20 0.36
LTB4R Q15722 1/20 0.36
ESR2 Q92731 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
SCHEMBL2215682 0.89 PPARG (0.48) DPP4PPARGPPARAG6PDMAPT
SCHEMBL1378151 0.89 ALDH1A1 (0.44) DPP4PPARGPPARAG6PDALDH1A1
SCHEMBL2213264 0.89 ALDH1A1 (0.48) DPP4PPARGPPARALMNAMAPK1
SCHEMBL2211748 0.89 PPARG (0.47) DPP4PPARGPPARAG6PDMAPT
SCHEMBL2212913 0.89 ALDH1A1 (0.44) DPP4PPARGPPARAG6PDALDH1A1
SCHEMBL7108388 0.88 HDAC3 (0.39) G6PDLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2211572 0.86 G6PD (0.46) DPP4PPARGPPARAG6PDMAPT
SCHEMBL2214840 0.84 MAPT (0.48) PPARGPPARAG6PDMAPTLTB4R
SCHEMBL2215788 0.83 PDE3B (0.45) PPARGPPARAG6PDMAPK1ALDH1A1
SCHEMBL1379177 0.83 MAPT (0.48) PPARGPPARAG6PDMAPTLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2003-12-11 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-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, ICOS, NFATC1 DPP4 149/4885PPARG 84/4885PPARA 168/4885

“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.