SCHEMBL4486218

SCHEMBL4486218

COC(=O)CNc1ccc(-n2c(C(=O)N(C)C)c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
AVPR1B P47901 3/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL4484284 0.93 HDAC1 (0.31) AKR1B1
SCHEMBL4484029 0.90 OPRM1 (0.34) P2RX7TP53MAPTSMN1; SMN2AKR1B1
SCHEMBL4486203 0.88 METAP2 (0.38) MAPTSMN1; SMN2
SCHEMBL4484242 0.88 MEN1 (0.35) P2RX7MAPTSMN1; SMN2
SCHEMBL4486216 0.88 P2RX7 (0.32) P2RX7AKR1B1
SCHEMBL4480516 0.87 LMNA (0.35) MAPTSMN1; SMN2AKR1B1
SCHEMBL4484250 0.87 PDK1 (0.34) AKR1B1
SCHEMBL4486280 0.87 METAP2 (0.35) MAPT
SCHEMBL4480319 0.86 AKR1B1 (0.35) SMN1; SMN2AKR1B1
SCHEMBL4489427 0.86 AKR1B1 (0.33) TP53MAPTAKR1B1

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 P2RX7 3818/4885TP53 1359/4885MAPT 2916/4885

“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.