SCHEMBL12796745

SCHEMBL12796745

O=C(Nc1cnc2c(c1)CCCc1ccc(-n3ccnc3)cc1-2)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 1/20 0.42
▸ CRACR2A Q9BSW2 2/20 0.41
▸ RORC P51449 4/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ RORA P35398 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ HTT P42858 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL12797006 0.85 NPC1 (0.38) NPC1RAB9ASMN1; SMN2LMNACRACR2A
SCHEMBL12848829 0.79 LMNA (0.49) NPC1RAB9ASMN1; SMN2LMNARORC
SCHEMBL12848539 0.78 GSK3B (0.44) NPC1RAB9ASMN1; SMN2LMNARORC
SCHEMBL12848736 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2RORCNR1I2
SCHEMBL12796755 0.77 CD38 (0.48) NPC1RAB9ASMN1; SMN2LMNARORC
SCHEMBL12848898 0.76 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNARORC
SCHEMBL12848442 0.76 IL2 (0.49) NPC1RAB9ASMN1; SMN2LMNARORC
SCHEMBL12848738 0.76 IL2 (0.51) NPC1RAB9ASMN1; SMN2LMNARORC
SCHEMBL12848832 0.75 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNACRACR2A
SCHEMBL12848831 0.74 DYRK1A (0.46) NPC1RAB9ASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NPC1 1042/4885RAB9A 1908/4885SMN1; SMN2 4820/4885

“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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