SCHEMBL5909615

SCHEMBL5909615

Cc1ccc(Sc2n[c]nc(Cl)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
DHFR P00374 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 3/20 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
SCHEMBL5909589 0.82 CXCL12 (0.38) SMN1; SMN2DHFRMAPTNPSR1ALDH1A1
SCHEMBL7718121 0.81 NPC1 (0.36) NPC1RAB9ASMN1; SMN2HAO1DHFR
SCHEMBL29673038 0.80 MAPT (0.43) NPC1RAB9ASMN1; SMN2HAO1DHFR
SCHEMBL9627573 0.80 MAPT (0.43) NPC1RAB9ASMN1; SMN2HAO1DHFR
SCHEMBL13752159 0.72 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HAO1DHFR
SCHEMBL8384783 0.71 MAPT (0.44) NPC1RAB9ASMN1; SMN2HAO1DHFR
SCHEMBL4650764 0.69
SCHEMBL28177683 0.66 MAPT (0.49) NPC1MAPTNPSR1KMT2ACYP1A2
SCHEMBL12245875 0.65 ACHE (0.57) NPC1RAB9ASMN1; SMN2HAO1MAPT
SCHEMBL83853 0.65 ACHE (0.57) NPC1RAB9ASMN1; SMN2HAO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes DYSTAR TEXTILF DEUTSCHLAND KG (DE) 2006-05-25 US disclosed
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
EP-0201026-B1 METAL COMPLEX DYES BAYER AG (DE) 1989-09-13 EP disclosed
US-4813972-A USING LEVELING DYES, COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1989-03-21 US disclosed
US-4772687-A AZO DYES, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
US-4723001-A Fibre-reactive chromium complexes and their preparation and use CIBA-GEIGY CORPORATION (US) 1988-02-02 US disclosed
US-4678851-A FIBER-RACTIVE CIBA-GEIGY CORPORATION (US) 1987-07-07 US disclosed
US-4418015-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1983-11-29 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-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes IK, COL1A1, DDX41 NPC1 4150/4885RAB9A 1080/4885SMN1; SMN2 1361/4885

“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.