SCHEMBL3523181

SCHEMBL3523181

Cc1nc(=O)[nH]c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.55
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 2/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
TDP2 O95551 3/20 0.46
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
APOBEC3A P31941 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL8214492 0.82 LMNA (0.56) HCAR1TSHRHTTGAAGSK3A
SCHEMBL3520528 0.76 L3MBTL1 (0.66) HCAR1TSHRMAPK1HTTGAA
SCHEMBL14446895 0.72 KDM4E (0.66) HCAR1TSHRHTTGAAMEN1
SCHEMBL2337291 0.71 GSK3A (0.67) TSHRMAPK1GAAGSK3AGSK3B
SCHEMBL5198556 0.71 NTRK1 (0.72) TSHRMAPK1GAAGSK3AGSK3B
SCHEMBL8644212 0.71 MAPK1 (0.53) HCAR1TSHRMAPK1HTTMEN1
SCHEMBL9652503 0.70 SMN1; SMN2 (0.70) TSHRHTTGAAGSK3AGSK3B
SCHEMBL15558596 0.70 ALDH1A1 (0.70) HCAR1GAAGSK3AGSK3BMEN1
SCHEMBL1961417 0.70 TSHR (0.50) HCAR1TSHRMAPK1HTTLMNA
SCHEMBL11711805 0.70 GSK3A (0.64) TSHRMAPK1GAAGSK3AGSK3B

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
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 (2 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 HCAR1 957/4885TSHR 3539/4885MAPK1 738/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 HCAR1 957/4885TSHR 3539/4885MAPK1 738/4885

“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.