SCHEMBL2186221

SCHEMBL2186221

COC(=O)c1oc(-c2cc(C#N)c3ccccc3c2)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
XDH P47989 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2185360 0.89 GAA (0.46) ALDH1A1LMNAGAAKDM4EHPGD
SCHEMBL19919093 0.83 GAA (0.37) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL2185402 0.77 GPR84 (0.48) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL2778196 0.76 ALDH1A1 (0.74) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL5899850 0.76 ALDH1A1 (0.69) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL1553761 0.72 ALDH1A1 (0.63) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL19919092 0.70 GAA (0.49) ALDH1A1LMNAGAAKDM4EHPGD
SCHEMBL2777500 0.69 ALDH1A1 (0.74) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL5640634 0.69 ALDH1A1 (0.74) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL2171389 0.69 ALDH1A1 (1.00) ALDH1A1LMNAGAASMN1; SMN2KDM4E

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 4 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
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 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

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 ALDH1A1 185/4885LMNA 976/4885GAA 494/4885

“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.