SCHEMBL3398555

SCHEMBL3398555

CC(=O)Nc1ccc(C(=O)Nc2cnc(Nc3ccc(C)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 4/20 0.50
AGER Q15109 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
P4HTM Q9NXG6 2/20 0.48
NAMPT P43490 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
TNIK Q9UKE5 1/20 0.46
KDM4E B2RXH2 1/20 0.45
P2RY14 Q15391 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3393541 0.90 CACNA1B (0.56) RAB9ASMN1; SMN2NPC1AGERTDP1
SCHEMBL3397270 0.89 PTPN11 (0.50) RAB9ANPC1AGERP4HTMKMT2A
SCHEMBL3398551 0.89 POLB (0.49) RAB9ASMN1; SMN2NPC1AGERTDP1
SCHEMBL3393588 0.87 CSNK2A2 (0.55) RAB9ASMN1; SMN2NPC1P4HTMKMT2A
SCHEMBL3393963 0.84 NAMPT (0.56) RAB9ASMN1; SMN2NPC1TDP1NAMPT
SCHEMBL3392231 0.82 MEN1 (0.55) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3397155 0.80 CSNK2A2 (0.60) RAB9ASMN1; SMN2NPC1TDP1P4HTM
SCHEMBL3394845 0.79 MEN1 (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3391621 0.79 MAPK14 (0.55) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3397250 0.77 RAB9A (0.61) RAB9ASMN1; SMN2NPC1TDP1KMT2A

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-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 RAB9A 1982/4885SMN1; SMN2 2662/4885NPC1 2281/4885

“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.