SCHEMBL4273353

SCHEMBL4273353

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
KDM1A O60341 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
POLB P06746 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PLAU P00749 1/20 0.34
ELANE P08246 1/20 0.34
GRM5 P41594 1/20 0.34
AGTR2 P50052 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13572502 0.86 LMNA (0.38) LMNAALDH1A1RAB9ASIGMAR1MAPT
SCHEMBL4273350 0.84 KDM1A (0.35) KDM1AAGTR2SMN1; SMN2
SCHEMBL4270118 0.82 RAB9A (0.38) LMNAALDH1A1RAB9AKDM1ASIGMAR1
SCHEMBL13573332 0.78 CNR1 (0.36) LMNAALDH1A1RAB9ANPC1L1POLB
SCHEMBL4197420 0.74 SMN1; SMN2 (0.46) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL12266075 0.73 LMNA (0.46) LMNAALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL4206478 0.72 POLB (0.39) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL4049868 0.68 SMN1; SMN2 (0.41) LMNAALDH1A1L3MBTL1POLBGRM5
SCHEMBL4048593 0.68 SMN1; SMN2 (0.41) LMNAALDH1A1MAPTL3MBTL1POLB
SCHEMBL823358 0.67 POLB (0.44) LMNAALDH1A1RAB9APOLBPDCD1

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-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
EP-1942736-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007050510-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO 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 LMNA 3382/4885ALDH1A1 2058/4885RAB9A 2531/4885

“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.