SCHEMBL4273350

SCHEMBL4273350

CN1Cc2c(OCc3ccccc3)c(C(=O)N(N)C(=O)Cc3ccc(F)cc3)nn2[C@@H](c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
CCR5 P51681 2/20 0.35
ALOX5 P09917 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KMT2A Q03164 2/20 0.33
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
AGTR2 P50052 1/20 0.32
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4273353 0.84 LMNA (0.39) KDM1ASMN1; SMN2AGTR2
SCHEMBL4270118 0.81 RAB9A (0.38) KDM1ASMN1; SMN2
SCHEMBL13572502 0.70 LMNA (0.38) SMN1; SMN2RIPK1
SCHEMBL4197420 0.68 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2MEN1TP53
SCHEMBL4049868 0.67 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL4206478 0.66 POLB (0.39) KMT2ASMN1; SMN2RIPK1MEN1
SCHEMBL4049772 0.65 RIPK1 (0.37) RIPK1TSHR
SCHEMBL4206967 0.65 RIPK1 (0.37) RIPK1TSHR
SCHEMBL754438 0.64 ALDH1A1 (0.43) KMT2AMEN1
SCHEMBL4048593 0.63 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 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-20090312335-A1 Hiv Integrase Inhibitors RECQL, TYMP, POLR2H KDM1A 607/4885CCR5 384/4885ALOX5 3742/4885

“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.