SCHEMBL2526653

SCHEMBL2526653

Cc1ccc(C(=O)NN2C(=O)C3C4CCC(C5CC54)C3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
MAPT P10636 4/20 0.62
HTT P42858 2/20 0.61
GAA P10253 1/20 0.61
THRB P10828 1/20 0.61
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL401915 0.87 ALDH1A1 (0.56) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL18691800 0.86 HTT (0.62) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL404263 0.85 ALDH1A1 (0.76) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL17249588 0.85 ALDH1A1 (0.76) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL17249593 0.85 ALDH1A1 (0.76) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL10029261 0.85 ALDH1A1 (0.76) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL17676791 0.84 ALDH1A1 (0.53) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL10029243 0.84 ALDH1A1 (0.53) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL704579 0.83 ALDH1A1 (0.52) SMN1; SMN2MAPTHTTGAATHRB
SCHEMBL21024667 0.78 ALDH1A1 (0.55) SMN1; SMN2MAPTHTTGAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039504-B2 heating a mixture of anti-tricyclo[3.2.2.0]non-6-ene-endo-8, endo-9-dicarboxylic acid anhydride, 4-(trifluoromethyl)benzhydrazide, and ethanol at reflux, concetrating and recrystallizing; 4-Trifluoromethyl-N- (3,3a,4,4a,5,5a,6,6a,- octahydro-1,3-dioxo-4,6- ethenocycloprop[f]isoindol- 2(1H)-yl)-benzamide SIGA TECHNOLOGIES, INC. (US) 2011-10-18 US disclosed
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2007-12-13 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 (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-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT SMN1; SMN2 3328/4885MAPT 2433/4885HTT 2788/4885

“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.