SCHEMBL5124464

SCHEMBL5124464

CN1CCn2cc(C(=O)O)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
ALKBH1 Q13686 2/20 0.38
EGFR P00533 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.37
PTGER1 P34995 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
FOLH1 Q04609 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3994775 0.91 GLRA1 (0.41) GRM5EGFRALDH1A1LMNAHPGD
SCHEMBL3982506 0.88 KDM4E (0.41) EGFRALDH1A1KDM4E
SCHEMBL4273329 0.79 HSD17B10 (0.33) POLBRECQLKDM4E
SCHEMBL20014851 0.79 ALKBH1 (0.38) GRM5ALKBH1LMNAHPGDPOLB
SCHEMBL3983699 0.78 POLB (0.39) GRM5ALDH1A1LMNAPOLBRECQL
SCHEMBL4749064 0.78 MAPK1 (0.41) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL22482574 0.76 ALDH1A1 (0.33) ALDH1A1HPGDPOLBKDM4E
SCHEMBL4196395 0.75 GRM5 (0.42) GRM5EGFRALDH1A1LMNAHPGD
SCHEMBL3983481 0.75 AKT1 (0.41) LMNAPOLBRECQLSMN1; SMN2
SCHEMBL20015193 0.74 ALKBH1 (0.38) ALKBH1ALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP GRM5 3530/4885ALKBH1 61/4885EGFR 2957/4885

“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.