SCHEMBL2186392

SCHEMBL2186392

N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.55
SLC22A12 Q96S37 2/20 0.55
POLB P06746 1/20 0.53
DHODH Q02127 3/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE10A Q9Y233 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
ESRRB O95718 1/20 0.50
ESRRA P11474 1/20 0.50
HNF4A P41235 1/20 0.49
ACMSD Q8TDX5 1/20 0.49

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
SCHEMBL2189466 0.87 DHODH (0.55) POLBDHODHKDM4ELMNASMN1; SMN2
SCHEMBL2186006 0.82 ESRRB (0.55) POLBDHODHKDM4ELMNASMN1; SMN2
SCHEMBL1343029 0.78 ESR1 (0.58) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL18607210 0.78 XDH (0.65) XDHSLC22A12HNF4AACMSD
SCHEMBL3009696 0.76 POLB (0.74) POLBDHODHKDM4ELMNASMN1; SMN2
SCHEMBL19919269 0.76 ESR1 (0.45) POLBDHODHKDM4ELMNASMN1; SMN2
SCHEMBL1897930 0.74 DHODH (0.74) POLBDHODHKDM4ELMNASMN1; SMN2
SCHEMBL3020763 0.73 POLB (0.74) POLBDHODHKDM4ELMNASMN1; SMN2
SCHEMBL15904177 0.73 DHODH (0.76) POLBDHODHKDM4ELMNASMN1; SMN2
SCHEMBL27719422 0.72 ALDH1A1 (0.53) KDM4ELMNASMN1; SMN2PDE10AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 EP disclosed
EP-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 EP disclosed
CN-102186824-B Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2014-03-12 CN disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
CN-102186824-A Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2011-09-14 CN disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
EP-2343279-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2011-07-13 EP disclosed
EP-2343279-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2011-07-13 EP disclosed
WO-2010044405-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME キッセイ薬品工業株式会社 (JP) 2010-04-22 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-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME XDH, OAT, PON1 XDH 1/4885SLC22A12 284/4885POLB 3724/4885

“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.