SCHEMBL4270118

SCHEMBL4270118

CN1Cc2c(OCc3ccccc3)c(C(=O)O)nn2[C@@H](c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
GLRA1 P23415 1/20 0.37
KDM1A O60341 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 3/20 0.35
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
S1PR5 Q9H228 1/20 0.34
TACR1 P25103 1/20 0.34
PTGER1 P34995 1/20 0.34
HTR3A P46098 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
SCHEMBL4273353 0.82 LMNA (0.39) RAB9AKDM1AALDH1A1GRM5SIGMAR1
SCHEMBL4206967 0.82 RIPK1 (0.37) RAB9ANPC1GLRA1PKMALDH1A1
SCHEMBL4049772 0.82 RIPK1 (0.37) RAB9ANPC1GLRA1PKMALDH1A1
SCHEMBL4273350 0.81 KDM1A (0.35) KDM1ASMN1; SMN2
SCHEMBL4206939 0.74 PTGER1 (0.39) GLRA1PTGER1
SCHEMBL4049868 0.72 SMN1; SMN2 (0.41) ALDH1A1GRM5MAPK1LMNAHPGD
SCHEMBL4197420 0.67 SMN1; SMN2 (0.46) PKMALDH1A1LMNASMN1; SMN2
SCHEMBL4196530 0.66 PTPN1 (0.42) GLRA1PKMALDH1A1KDM4ELMNA
SCHEMBL4196402 0.66 ALDH1A1 (0.41) PKMALDH1A1LMNAHPGDHTT
SCHEMBL18632623 0.66 GLRA1 (0.38) GLRA1MAPK1

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 RAB9A 2531/4885NPC1 3105/4885GLRA1 3181/4885

“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.