SCHEMBL4172394

SCHEMBL4172394

NC(=O)c1cc2c(C(N)=O)c[nH]c2c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PIM1 P11309 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ LCK P06239 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ IKBKB O14920 4/20 0.32
▸ CHUK O15111 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRK2 P25098 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
SCHEMBL4173807 0.79 NNMT (0.37) NQO2ALDH1A1ATMPIM1PIM3
SCHEMBL5313016 0.70 IKBKB (0.46) NQO2LMNALCKPDPK1IKBKB
SCHEMBL4606125 0.69 ALDH1A1 (0.49) ALDH1A1ATMPIM1PIM3LCK
SCHEMBL6246419 0.68 LMNA (0.51) ALDH1A1PIM1PIM3LMNAMAPK1
SCHEMBL27409234 0.63 PARP1 (0.36) ALDH1A1ATMPIM1PIM3PDPK1
SCHEMBL22050704 0.62 ALDH1A1 (0.41) ALDH1A1ATMPIM1PIM3LMNA
SCHEMBL29754771 0.62 LCK (0.46) ALDH1A1PIM1LMNALCKHSD17B10
SCHEMBL10479181 0.62 LMNA (0.62) NQO2ALDH1A1PIM1PIM3LMNA
SCHEMBL30186080 0.61 NNMT (0.41) ALDH1A1ATMPIM1PIM3MEN1
SCHEMBL214780 0.61 ALDH1A1 (0.61) ALDH1A1ATMPIM1PIM3LMNA

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
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 — — EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 — — WO claimed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 — — 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP NQO2 351/4885ALDH1A1 406/4885ATM 3139/4885

“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.

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