SCHEMBL30948026

SCHEMBL30948026

O=C1C(=O)N(C2CCCC2)CCN1Cc1cc(-c2ccccc2F)no1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.76
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
ACKR3 P25106 1/20 0.39
TP53 P04637 2/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL30948277 0.98 IL4I1 (0.72) IL4I1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL27163698 0.86 IL4I1 (1.00) IL4I1MAPTHTTSMN1; SMN2RXFP1
SCHEMBL30948292 0.84 IL4I1 (0.80) IL4I1MAPTSMN1; SMN2RXFP1RAB9A
SCHEMBL30947922 0.84 IL4I1 (0.96) IL4I1MAPTHTTSMN1; SMN2RXFP1
SCHEMBL30948229 0.84 IL4I1 (0.79) IL4I1MAPTSMN1; SMN2RXFP1TP53
SCHEMBL30948240 0.82 IL4I1 (0.77) IL4I1MAPTSMN1; SMN2RXFP1RAB9A
SCHEMBL30948130 0.82 IL4I1 (0.63) IL4I1RXFP1ACKR3TP53LMNA
SCHEMBL30948059 0.82 IL4I1 (0.76) IL4I1MAPTSMN1; SMN2RXFP1TP53
SCHEMBL30948288 0.79 IL4I1 (0.96) IL4I1RXFP1TP53LMNA
SCHEMBL30948149 0.78 IL4I1 (0.69) IL4I1RXFP1TP53LMNA

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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 IL4I1 1/4885MAPT 3067/4885CYP1A2 465/4885

“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.