Sugi Predict

Sugi Predict / Compounds / SCHEMBL6730105

SCHEMBL6730105

SCHEMBL6730105

COC(=O)c1c(OC(=O)N(c2ccccc2)c2ccccc2)cc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SDHB P21912 2/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37

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
SCHEMBL10696730 0.83 KDM4E (0.48) KDM4EALDH1A1POLBSDHBNPSR1
SCHEMBL10363011 0.79 KDM4E (0.41) KDM4EALDH1A1POLBSDHBTUBB4A
SCHEMBL6730092 0.78 LMNA (0.44) KDM4EALDH1A1POLBRXRARXRB
SCHEMBL10694814 0.77 MAPT (0.44) KDM4EALDH1A1POLBTDP1SDHB
SCHEMBL10364788 0.74 KDM4E (0.38) KDM4EALDH1A1POLBRXRARXRB
SCHEMBL10696362 0.74 ALDH1A1 (0.38) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL6734856 0.72 CYP3A4 (0.44) KDM4EALDH1A1POLBTDP1L3MBTL1
SCHEMBL10364438 0.72 MAPT (0.40) KDM4EALDH1A1POLBL3MBTL1SDHB
SCHEMBL10698356 0.70 CYP1A2 (0.41) KDM4EALDH1A1POLBTDP1SDHB
SCHEMBL8356318 0.70 HTT (0.45) ALDH1A1ATMTDP1L3MBTL1NPSR1

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-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity LEE LEN F (US) 2004-11-04 — — US disclosed
US-6794396-B2 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-09-21 — — US disclosed
US-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-02-26 — — US disclosed
US-6605624-B1 Preventing and/or treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-08-12 — — 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 (2 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-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, CES1, MTTP KDM4E 1991/4885ALDH1A1 1154/4885POLB 4641/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KDM4E 1743/4885ALDH1A1 1364/4885POLB 4631/4885

“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.