SCHEMBL3518552

SCHEMBL3518552

Nc1cc(F)cnc1C=CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
P4HTM Q9NXG6 1/20 0.36
MIF P14174 1/20 0.36
RAB9A P51151 1/20 0.36
PLAU P00749 1/20 0.35
AGBL2 Q5U5Z8 1/20 0.35
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 4/20 0.34
CYP3A4 P08684 2/20 0.34
BLM P54132 1/20 0.34
TSHR P16473 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HDAC3 O15379 3/20 0.33
KEAP1 Q14145 1/20 0.33
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 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
SCHEMBL3518547 1.00 NPSR1 (0.37) NPSR1P4HTMMIFRAB9APLAU
SCHEMBL4132784 0.80 PLAU (0.51) NPSR1P4HTMRAB9APLAUKDM4E
SCHEMBL4132779 0.80 PLAU (0.51) NPSR1P4HTMRAB9APLAUKDM4E
SCHEMBL20874412 0.78 MIF (0.44) NPSR1P4HTMMIFRAB9APLAU
SCHEMBL4132881 0.76 THRB (0.45) KDM4EALDH1A1GAALTB4RCA12
SCHEMBL4132887 0.76 THRB (0.45) KDM4EALDH1A1GAALTB4RCA12
SCHEMBL13250851 0.76
SCHEMBL13167687 0.75 NOS2 (0.32)
SCHEMBL1991174 0.74 RRM2 (0.30) AGBL2
SCHEMBL4145909 0.71 ALDH1A1 (0.40) NPSR1MIFRAB9AKDM4EHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
EP-2221309-B1 NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2013-07-24 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8354426-B2 Naphthyridine derivative monohydrate and method for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2010-09-30 US disclosed
EP-2221309-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME Toyama Chemical Co., Ltd. (JP) 2010-08-25 EP disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP 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 (3 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-20100249417-A1 NOVEL NAPHTHYRIDINE DERIVATIVE MONOHYDRATE AND METHOD FOR PRODUCING THE SAME QDPR, NDC1, NRDC NPSR1 2178/4885P4HTM 2224/4885MIF 4863/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 NPSR1 3061/4885P4HTM 3331/4885MIF 4120/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 NPSR1 3297/4885P4HTM 3081/4885MIF 4120/4885

“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.