SCHEMBL20100535

SCHEMBL20100535

Cn1c(-c2ccccc2)c(C(C)(C(C#N)C#N)C(F)(F)F)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
CYP11B2 P19099 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL17548514 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL820350 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL28988803 0.68 CYP11B2 (0.73) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL28091859 0.65 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL3604201 0.64 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL28181079 0.64 HSD17B10 (0.67) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL822744 0.63 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL10067380 0.63 CYP11B2 (0.68) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL1881428 0.62 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HK1HKDC1LMNA
SCHEMBL1881426 0.62 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HK1HKDC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 ALDH1A1 1498/4885SMN1; SMN2 3732/4885HK1 2556/4885

“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.