SCHEMBL22787296

SCHEMBL22787296

C/N=C\c1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
ALDH1A1 P00352 9/20 0.46
TYR P14679 1/20 0.46
CYP2A13 Q16696 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A3 P47895 2/20 0.43
ALDH3A1 P30838 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.37
EGFR P00533 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37

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
SCHEMBL22389454 0.86 SMN1; SMN2 (0.48) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL19339517 0.77 ALDH1A1 (0.48) CYP2A6ALDH1A1NPC1RAB9ATSHR
SCHEMBL31171 0.76 CYP2A6 (0.69) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL4956384 0.76 CYP2A6 (0.69) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL21527117 0.76 SMN1; SMN2 (0.67) CYP2A6ALDH1A1KDM4ENPC1RAB9A
SCHEMBL26419774 0.76 SMN1; SMN2 (0.40) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL862550 0.76 SMN1; SMN2 (0.67) CYP2A6ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5663817 0.74 KMT2A (0.58) CYP2A6ALDH1A1TYRHSD17B10ALDH5A1
SCHEMBL13181220 0.74 APP (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15203333 0.74 GRIN2D (0.48) NPC1RAB9ASMN1; SMN2

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-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS SOLSTICE BIOLOGICS LTD (IE) 2020-12-17 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-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 CYP2A6 4123/4885ALDH1A1 4316/4885TYR 4608/4885

“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.