SCHEMBL12848960

SCHEMBL12848960

Cn1c(C(=O)Nc2c(F)cccc2F)cc2c1-c1cc(Br)ccc1CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
NFKB1 P19838 2/20 0.36
HTT P42858 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
TP53 P04637 1/20 0.36
DHODH Q02127 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.33
PDE4D Q08499 2/20 0.33
THRB P10828 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL12848733 0.81 CREBBP (0.41)
SCHEMBL12848580 0.74 NOTUM (0.44) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL12848959 0.74 RAB9A (0.43) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL12796664 0.73 MAPT (0.39) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL14172528 0.73 DHODH (0.37) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL12796658 0.73 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL2732151 0.70 ALDH1A1 (0.44) ALDH1A1KMT2APDE4D
SCHEMBL14172666 0.68 MAPT (0.45) MAPTALDH1A1
SCHEMBL12848729 0.66 KDM4E (0.41) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL14172529 0.65 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AMAPTHTT

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 2 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
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 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.