SCHEMBL30948264

SCHEMBL30948264

Fc1ccccc1-c1ccc(CCl)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.45
ALDH1A1 P00352 7/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
IDO1 P14902 1/20 0.40
HTT P42858 1/20 0.39
MPL P40238 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38
KCNH2 Q12809 1/20 0.37
CRHBP P24387 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
SCHEMBL30947972 0.80 ALDH1A1 (0.31) IL4I1ALDH1A1NPC1RAB9AMAPT
SCHEMBL13735025 0.80 ALDH1A1 (0.31) IL4I1ALDH1A1NPC1RAB9AMAPT
SCHEMBL13734509 0.80 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2IDO1
SCHEMBL4023321 0.76 MEN1 (0.49) IL4I1ALDH1A1NPC1RAB9AMAPT
SCHEMBL4018259 0.75 IDO1 (0.46) IL4I1ALDH1A1NPC1RAB9AMAPT
SCHEMBL13735139 0.75 GABRG2 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL13737187 0.74 IL4I1 (0.40) IL4I1ALDH1A1NPC1RAB9AMAPT
SCHEMBL30045920 0.73 CYP11B1 (0.50) IL4I1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27163833 0.73 CYP11B1 (0.50) IL4I1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13736471 0.72 NPC1 (0.38) ALDH1A1NPC1RAB9AMAPTSMN1; 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-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 1/4885ALDH1A1 283/4885NPC1 2807/4885

“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.