SCHEMBL12848860

SCHEMBL12848860

Cc1cn(-c2nc3c(s2)CCCc2cc(NC(=O)c4c(F)cccc4F)ccc2-3)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ TP53 P04637 4/20 0.40
▸ RORC P51449 5/20 0.40
▸ MAPT P10636 4/20 0.39
▸ NFKB1 P19838 3/20 0.39
▸ NFKB2 Q00653 3/20 0.39
▸ RELA Q04206 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ BRAF P15056 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ RORA P35398 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 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
SCHEMBL12796916 0.86 NPC1 (0.47) SMN1; SMN2NPC1RAB9ATP53RORC
SCHEMBL12848861 0.81 NPC1 (0.54) SMN1; SMN2NPC1RAB9ATP53RORC
SCHEMBL12848862 0.80 NPC1 (0.53) SMN1; SMN2NPC1RAB9ATP53RORC
SCHEMBL12796353 0.74 NPC1 (0.47) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12796748 0.72 NPC1 (0.45) SMN1; SMN2NPC1RAB9ATP53RORC
SCHEMBL12848575 0.71 LDLR (0.42) SMN1; SMN2NPC1RAB9ATP53RORC
SCHEMBL12796755 0.71 CD38 (0.48) SMN1; SMN2NPC1RAB9ATP53RORC
SCHEMBL3219333 0.71 MAPK14 (0.62) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12796652 0.70 MAPT (0.66) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL14172713 0.70 RAB9A (0.46) SMN1; SMN2NPC1RAB9ATP53RORC

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

“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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