SCHEMBL19911341

SCHEMBL19911341

Cc1ccc2ncn(CCl)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.49
CYP11B2 P19099 5/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
TNF P01375 2/20 0.48
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KCNH2 Q12809 1/20 0.43
MAPK1 P28482 1/20 0.43
FGFR1 P11362 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 1/20 0.39
EP300 Q09472 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL19627158 0.86 SMN1; SMN2 (0.46) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL19911325 0.86 FGFR1 (0.50) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL14446372 0.84 ALDH1A1 (0.51) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL23638276 0.83 TNF (0.46) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL12767952 0.83 POLB (0.66) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL9570452 0.81 TNF (0.47) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL12026868 0.81 TNF (0.47) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL29749615 0.81 SMN1; SMN2 (0.55) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL18136604 0.81 LMNA (0.53) CYP11B1CYP11B2LMNASMN1; SMN2HTT
SCHEMBL15345063 0.80 CYP11B1 (0.68) CYP11B1CYP11B2LMNASMN1; SMN2HTT

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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 CYP11B1 640/4885CYP11B2 607/4885LMNA 1033/4885

“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.