SCHEMBL4477879

SCHEMBL4477879

COC(=O)c1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 8/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
AKR1B1 P15121 1/20 0.35
HTT P42858 3/20 0.35
FSCN1 Q16658 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4489713 0.92 CCR2 (0.38) MEN1KMT2ASMN1; SMN2P2RX7LMNA
SCHEMBL4478160 0.90 MEN1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6032250 0.90 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4480439 0.90 P2RX7 (0.35) SMN1; SMN2P2RX7AKR1B1FSCN1
SCHEMBL4482091 0.89 FSCN1 (0.34) MEN1KMT2ASMN1; SMN2ALDH1A1P2RX7
SCHEMBL4493255 0.89 MEN1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1337872 0.87 MEN1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1338069 0.86 MEN1 (0.34) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4482140 0.85 P2RX7 (0.39) SMN1; SMN2ALDH1A1P2RX7LMNAHTT
SCHEMBL1335967 0.84 P2RX7 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H MEN1 4754/4885KMT2A 1470/4885SMN1; SMN2 4492/4885

“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.