SCHEMBL16572616

SCHEMBL16572616

Cc1sc2c(c1-c1ccc(NC(=O)c3c(F)cncc3F)nc1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ANO1 Q5XXA6 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HSD17B10 Q99714 1/20 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
SCHEMBL12241325 0.92 IL2 (0.48) IL2KDM4EALDH1A1LMNANPSR1
SCHEMBL1701175 0.90 IL2 (0.48) IL2KDM4EALDH1A1LMNANPSR1
SCHEMBL12155976 0.87 KDM4E (0.38) IL2KDM4EALDH1A1LMNANPSR1
SCHEMBL16572593 0.85 KDM4E (0.39) KDM4EALDH1A1LMNANPSR1ANO1
SCHEMBL12241329 0.85 NPC1 (0.56) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL16572617 0.84 IL2 (0.44) IL2KDM4EALDH1A1LMNANPSR1
SCHEMBL1701193 0.83 NPC1 (0.56) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL16572615 0.82 IL2 (0.42) IL2KDM4EALDH1A1LMNANPSR1
SCHEMBL12241324 0.81 NPC1 (0.53) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL12241328 0.80 ALDH1A1 (0.43) KDM4EALDH1A1LMNANPSR1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — 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 (2 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 IL2 3716/4885KDM4E 4057/4885ALDH1A1 4409/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885KDM4E 4057/4885ALDH1A1 4409/4885

“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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