SCHEMBL13041371

SCHEMBL13041371

CC(=O)Nc1cccc(Oc2ccc(N)c(C#N)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
MAPT P10636 1/20 0.55
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
PFKFB1 P16118 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46

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
SCHEMBL4366143 0.84 MTNR1A (0.57) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL13077922 0.83 HSD17B10 (0.53) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL13041372 0.81 MEN1 (0.58) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL6815182 0.81 ALDH1A1 (0.63) ALDH1A1HPGDHTTTSHRKDM4E
SCHEMBL26274509 0.80 ALDH1A1 (0.61) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL3728921 0.80 MTNR1A (0.62) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL14338249 0.79 MTNR1B (0.69) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL9162294 0.78 MTNR1B (0.77) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL14375415 0.77 MEN1 (0.61) ALDH1A1TP53HPGDHSD17B10MAPK1
SCHEMBL1075077 0.76 KDM4E (0.49) ALDH1A1MAPK1KDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 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-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 ALDH1A1 276/4885TP53 2043/4885HPGD 415/4885

“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.