SCHEMBL4494054

SCHEMBL4494054

Cn1c(C(=O)NCC2CC2)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.39
KCNH2 Q12809 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.35
HTR4 Q13639 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
FSCN1 Q16658 1/20 0.34

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
SCHEMBL4486044 0.88 CNR1 (0.40) KCNH2ALDH1A1LIPGFSCN1
SCHEMBL5446552 0.88 POLB (0.38) POLBFSCN1
SCHEMBL13672787 0.85 AKR1B1 (0.38) ALDH1A1FSCN1
SCHEMBL4478160 0.85 MEN1 (0.39) MAPTALDH1A1FSCN1
SCHEMBL4479511 0.83 AKR1B1 (0.36) KCNH2FSCN1
SCHEMBL31060990 0.83 AKR1B1 (0.36) KCNH2FSCN1
SCHEMBL13672800 0.82 WDR5 (0.38) FSCN1
SCHEMBL4480852 0.82 CENPE (0.36) KCNH2TP53MAPTKDM4EFSCN1
SCHEMBL4488414 0.82 AKR1B1 (0.35) KCNH2FSCN1
SCHEMBL4483969 0.81 PREP (0.37) MAPTALDH1A1FSCN1

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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
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

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 CACNA1I 1594/4885KCNH2 2596/4885TP53 1359/4885

“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.