SCHEMBL3499438

SCHEMBL3499438

CC(NS(=O)(=O)c1cccs1)c1cccc2cc(-c3ncc(CCl)s3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PKM P14618 1/20 0.34
CCR2 P41597 1/20 0.33
NFKBIA P25963 1/20 0.33
RELA Q04206 1/20 0.33
GLO1 Q04760 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
BRD4 O60885 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2658970 0.83 NFKBIA (0.47) NPC1KMT2AMEN1CCR2NFKBIA
SCHEMBL1654045 0.80 ALDH1A1 (0.33) NPC1KMT2AMEN1PKMMAPT
SCHEMBL3499439 0.80 CYP2D6 (0.40) NPC1PKMMAPTALDH1A1HPGD
SCHEMBL1653985 0.78 ALDH1A1 (0.36) NPC1KMT2AMAPTALDH1A1HPGD
SCHEMBL1653883 0.76 TSHR (0.33) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL2976011 0.76 KMT2A (0.31) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL1653663 0.75 NFKBIA (0.46) NPC1KMT2AMEN1CCR2NFKBIA
SCHEMBL18568980 0.74
SCHEMBL13348699 0.73 ALDH1A1 (0.33) KMT2AMEN1PKMMAPTALDH1A1
SCHEMBL1653179 0.73 ALDH1A1 (0.32) NPC1KMT2AMEN1PKMMAPT

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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 NPC1 2480/4885KMT2A 507/4885MEN1 2138/4885

“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.