SCHEMBL12280281

SCHEMBL12280281

O=C(Nc1ccc(-c2c(CF)oc3c2CCCC3)cn1)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 7/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ GFER P55789 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HCRTR1 O43613 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ STIM1 Q13586 1/20 0.35
▸ ORAI1 Q96D31 1/20 0.35
▸ HTR1F P30939 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12280272 0.86 IL2 (0.45) IL2ALDH1A1GFERMEN1KMT2A
SCHEMBL12241310 0.86 IL2 (0.50) IL2ALDH1A1GFERMEN1KMT2A
SCHEMBL12241303 0.84 IL2 (0.44) IL2ALDH1A1GFERMEN1KMT2A
SCHEMBL12241315 0.84 IL2 (0.50) IL2ALDH1A1GFERMEN1KMT2A
SCHEMBL12156179 0.82 IL2 (0.44) IL2ALDH1A1GFERMEN1KMT2A
SCHEMBL16572589 0.78 IL2 (0.42) IL2ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL16572586 0.77 IL2 (0.39) IL2ALDH1A1GFERHCRTR1TSHR
SCHEMBL16572615 0.76 IL2 (0.42) IL2ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL1701175 0.76 IL2 (0.48) IL2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12280717 0.76 NPC1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885ALDH1A1 4409/4885GFER 3621/4885

“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.

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