SCHEMBL12848959

SCHEMBL12848959

O=C(Nc1c(F)cccc1F)c1cc2c(s1)CCCc1ccc(Br)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 8/20 0.43
YWHAZ P63104 1/20 0.41
PDK1 Q15118 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 9/20 0.38
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
IL2 P60568 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 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
SCHEMBL12848580 0.86 NOTUM (0.44) RAB9ANPC1YWHAZPDK1ALDH1A1
SCHEMBL12848961 0.81 ABCB1 (0.41) RAB9ANPC1MAPT
SCHEMBL14172528 0.76 DHODH (0.37) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL12796658 0.74 SMN1; SMN2 (0.38) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12848960 0.74 SMN1; SMN2 (0.36) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12796664 0.72 MAPT (0.39) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12796655 0.72 MAPT (0.54) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL12848825 0.72 NOTUM (0.48) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL13770532 0.72 IL2 (0.55) RAB9ANPC1ALDH1A1KMT2APOLB
SCHEMBL12848725 0.72 KDM4E (0.46) RAB9ANPC1ALDH1A1KMT2APOLB

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 RAB9A 1908/4885NPC1 1042/4885YWHAZ 4787/4885

“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.