SCHEMBL4487792

SCHEMBL4487792

Cn1c(C(=O)NCc2ccc(F)cc2)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.44
LIPG Q9Y5X9 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
SCD O00767 1/20 0.40
AKR1B1 P15121 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL4487954 0.90 ALOX5 (0.45) THRBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL4481908 0.90 AKR1B1 (0.38) THRBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL4486193 0.87 TP53 (0.45) THRBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL4489237 0.87 AKR1B1 (0.37) THRBMEN1KMT2ATP53LIPG
SCHEMBL13672778 0.87 AKR1B1 (0.43) MEN1KMT2ATP53SMN1; SMN2AKR1B1
SCHEMBL4480856 0.87 CNR1 (0.44)
SCHEMBL4484527 0.85 CNR2 (0.46)
SCHEMBL13672777 0.84 AKR1B1 (0.41) MEN1KMT2ATP53SMN1; SMN2AKR1B1
SCHEMBL4473972 0.83 AKR1B1 (0.41) MEN1KMT2ASMN1; SMN2AKR1B1L3MBTL1
SCHEMBL4495602 0.82 AKR1B1 (0.40) MEN1KMT2ATP53SMN1; SMN2AKR1B1

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 THRB 1546/4885MEN1 4754/4885KMT2A 1470/4885

“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.