SCHEMBL2186006

SCHEMBL2186006

N#Cc1cc(-c2ccc(C(=O)O)cc2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.55
ESR1 P03372 1/20 0.55
ESRRA P11474 1/20 0.55
ESR2 Q92731 1/20 0.55
DHODH Q02127 6/20 0.54
KDM4E B2RXH2 3/20 0.52
PDE10A Q9Y233 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL1343029 0.85 ESR1 (0.58) ESRRBESR1ESRRAESR2DHODH
SCHEMBL19919243 0.84 ESR1 (0.52) ESRRBESR1ESRRAESR2DHODH
SCHEMBL2186392 0.82 XDH (0.55) ESRRBESR1ESRRAESR2DHODH
SCHEMBL8689228 0.80 DHODH (0.82) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL29893710 0.79 ESR1 (0.47) ESRRBESR1ESRRAESR2POLB
SCHEMBL2185509 0.77 ESR1 (0.50) ESR1ESR2
SCHEMBL24795633 0.75 ESR1 (0.48) ESRRBESR1ESRRAESR2KDM4E
SCHEMBL1897930 0.75 DHODH (0.74) DHODHKDM4EPDE10ALMNASMN1; SMN2
SCHEMBL19919269 0.75 ESR1 (0.45) ESRRBESR1ESRRAESR2DHODH
SCHEMBL2189466 0.74 DHODH (0.55) ESRRBESR1ESRRAESR2DHODH

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 12 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
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 ESRRB 1810/4885ESR1 3404/4885ESRRA 1727/4885

“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.