SCHEMBL4501531

SCHEMBL4501531

CNC(=O)N(C)c1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
FSCN1 Q16658 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4484270 0.92 AKR1B1 (0.32) AKR1B1FSCN1TP53MAPT
SCHEMBL4487534 0.92 AKR1B1 (0.32) AKR1B1FSCN1
SCHEMBL4486216 0.91 P2RX7 (0.32) AKR1B1FSCN1
SCHEMBL4480367 0.90 HDAC1 (0.35)
SCHEMBL4477871 0.90 AKR1B1 (0.31) AKR1B1
SCHEMBL4480516 0.89 LMNA (0.35) AKR1B1MAPT
SCHEMBL4484250 0.89 PDK1 (0.34) AKR1B1
SCHEMBL4480319 0.88 AKR1B1 (0.35) AKR1B1FSCN1
SCHEMBL4489427 0.88 AKR1B1 (0.33) AKR1B1TP53MAPT
SCHEMBL4477683 0.87 MAPK8 (0.33) AKR1B1

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
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 AKR1B1 2248/4885FSCN1 4613/4885TP53 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.