SCHEMBL12795404

SCHEMBL12795404

Cc1csc(NS(C)(=O)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
GAA P10253 6/20 0.49
NPC1 O15118 6/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ABL1 P00519 1/20 0.49
MAPT P10636 3/20 0.47
FDPS P14324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL27183041 0.81 RAB9A (0.47) RAB9AGAANPC1KMT2AMEN1
SCHEMBL13934300 0.76 ABL1 (0.46) NPC1ALDH1A1ABL1LMNAHPGD
SCHEMBL21899349 0.76 CTPS1 (0.50) KMT2AMEN1ALDH1A1ABL1SMN1; SMN2
SCHEMBL5911698 0.75 KMT2A (0.62) RAB9AGAANPC1KMT2AMEN1
SCHEMBL3351804 0.74 L3MBTL1 (0.60) RAB9AGAANPC1KMT2AMEN1
SCHEMBL564521 0.74 ALDH1A1 (0.60) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3847455 0.73 KMT2A (0.52) RAB9AGAANPC1KMT2AMEN1
SCHEMBL5911665 0.73 KDM1A (0.68) RAB9AGAANPC1KMT2AMEN1
SCHEMBL6570711 0.73 HDAC3 (0.44) ABL1
SCHEMBL5929882 0.72 CYP1A2 (0.44) RAB9AGAANPC1ALDH1A1ABL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043741-A1 AUTOTAXIN INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 2024-02-29 WO disclosed
WO-2020198710-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF ESSA PHARMA, INC. (CA) 2020-10-01 WO disclosed
US-7896931-B2 Hair dye composition KAO CORPORATION (JP) 2011-03-01 US disclosed
US-7896931-B2 Hair dye composition KAO CORPORATION (JP) 2011-03-01 US disclosed
US-20100146716-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-17 US disclosed
US-20100146716-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-17 US disclosed
WO-2009005139-A2 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2009-01-08 WO disclosed
US-7270703-B2 Metallized dyes having colorfastness, heat and ozone resistance, used for thermal printing, color filters, toners, liquid crystal displays and coloring fibers FUJIFILM CORPORATION (JP) 2007-09-18 US disclosed
US-7219988-B2 Water-soluble phthalocyanine compound-containing ink for ink jetting, ink jet recording method and method for improving ozone gas discoloration of colored image material FUJI PHOTO FILM CO., LTD. (JP) 2007-05-22 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-20100146716-A1 HAIR DYE COMPOSITION ARSA, H1-4, H1-0 RAB9A 3197/4885GAA 4707/4885NPC1 4624/4885

“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.