SCHEMBL8250520

SCHEMBL8250520

CCC1CC(c2ccc(C#N)cc2)=NO1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MIF P14174 6/20 0.45
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL7672155 0.86 ALDH1A1 (0.45) ALDH1A1MAPK10SMN1; SMN2MIFHDAC6
SCHEMBL5662697 0.86 ALDH1A1 (0.48) ALDH1A1MAPK10SMN1; SMN2MIFHDAC6
SCHEMBL3986303 0.86 ALDH1A1 (0.45) ALDH1A1MAPK10SMN1; SMN2MIFHDAC6
SCHEMBL21065803 0.82 CLK4 (0.42)
SCHEMBL2920841 0.81
SCHEMBL7367279 0.81 MIF (0.71) ALDH1A1MAPK10SMN1; SMN2MIFHDAC6
SCHEMBL7214876 0.81 MIF (0.71) ALDH1A1MAPK10SMN1; SMN2MIFHDAC6
SCHEMBL6995730 0.81 MIF (0.71) ALDH1A1MAPK10SMN1; SMN2MIFHDAC6
SCHEMBL5637433 0.81 MAPT (0.45) ALDH1A1MAPK10SMN1; SMN2MIFHDAC6
SCHEMBL22839964 0.81 ALDH1A1 (0.48) ALDH1A1MAPK10SMN1; SMN2MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-26 US disclosed
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 US disclosed
US-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-RE39680-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-7183282-B2 Substituted heterocycle fused γ-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-27 US disclosed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 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 (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-20040220178-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 ALDH1A1 704/4885MAPK10 1845/4885SMN1; SMN2 1565/4885
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES DDT, PTMS, TSNAX ALDH1A1 3634/4885MAPK10 4781/4885SMN1; SMN2 2938/4885
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides DDT, PTMS, TSNAX ALDH1A1 3634/4885MAPK10 4781/4885SMN1; SMN2 2938/4885

“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.