SCHEMBL5446552

SCHEMBL5446552

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
FSCN1 Q16658 1/20 0.37
AKR1B1 P15121 1/20 0.36
EGLN1 Q9GZT9 3/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
GPR52 Q9Y2T5 2/20 0.34
TNIK Q9UKE5 1/20 0.34
WDR5 P61964 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL13672787 0.90 AKR1B1 (0.38) FSCN1AKR1B1TNIKWDR5HTR2A
SCHEMBL4486044 0.90 CNR1 (0.40) FSCN1
SCHEMBL4478160 0.89 MEN1 (0.39) FSCN1AKR1B1
SCHEMBL4494054 0.88 CACNA1I (0.39) POLBFSCN1
SCHEMBL31060990 0.87 AKR1B1 (0.36) FSCN1AKR1B1TNIKWDR5HTR2A
SCHEMBL4479511 0.87 AKR1B1 (0.36) FSCN1AKR1B1TNIKWDR5HTR2A
SCHEMBL4480575 0.87 POLB (0.35) POLBFSCN1AKR1B1EGLN1HDAC1
SCHEMBL4480852 0.86 CENPE (0.36) FSCN1AKR1B1WDR5HTR2AGRM2
SCHEMBL4488414 0.86 AKR1B1 (0.35) FSCN1AKR1B1WDR5HTR2AGRM2
SCHEMBL4483969 0.86 PREP (0.37) FSCN1AKR1B1

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 3 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

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 POLB 25/4885FSCN1 4613/4885AKR1B1 2248/4885

“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.