SCHEMBL31495877

SCHEMBL31495877

FC(F)(F)Cc1csc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.60
CHRNA7 P36544 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL73676 0.81 CYP2A6 (0.60) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL6377755 0.79 CYP2A6 (0.61) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL8486768 0.77 CYP2A6 (0.59) CYP2A6CHRNA7SMN1; SMN2CA1CA2
SCHEMBL3936611 0.77 CYP2A6 (0.59) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL2248829 0.75 CYP2A6 (1.00) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL19551367 0.74 CYP2A6 (0.51) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL2792315 0.74 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL3113993 0.74 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL1567143 0.74 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2
SCHEMBL18666075 0.74 CYP2A6 (0.67) CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2

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-20250120961-A1 P53 MODULATORS NESTED THERAPEUTICS INC (US) 2025-04-17 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-20250120961-A1 P53 MODULATORS TP53, TP53BP1, MDM2 CYP2A6 2658/4885CHRNA7 4086/4885SMN1; SMN2 3887/4885

“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.