SCHEMBL5089889

SCHEMBL5089889

COC(=O)c1ccc(C=Cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.45
KDM1A O60341 2/20 0.45
PTPN1 P18031 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
EGFR P00533 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL5089885 1.00 ERN1 (0.45) ERN1KDM1APTPN1NPC1LMNA
SCHEMBL508309 0.83 MAPT (0.57) PTPN1NPC1LMNAMAPTEGFR
SCHEMBL508310 0.83 MAPT (0.57) PTPN1NPC1LMNAMAPTEGFR
SCHEMBL1353722 0.80 SLC6A2 (0.45) KDM1ANPC1MAPTEGFRTUBB4A
SCHEMBL1353723 0.80 SLC6A2 (0.45) KDM1ANPC1MAPTEGFRTUBB4A
SCHEMBL2667009 0.79 NOTUM (0.45) ERN1NPC1LMNAEGFRNOTUM
SCHEMBL14930553 0.79 CA1 (0.58) NPC1MAPTMRGPRX4AURKATPX2
SCHEMBL7776477 0.76 PTPN1 (0.52) KDM1APTPN1NPC1LMNAMAPT
SCHEMBL7776475 0.76 PTPN1 (0.52) KDM1APTPN1NPC1LMNAMAPT
SCHEMBL5095625 0.76 AKR1C2 (0.48) NOTUMMRGPRX4AURKATPX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 ERN1 3850/4885KDM1A 4133/4885PTPN1 1961/4885

“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.