SCHEMBL8613625

SCHEMBL8613625

O=C(NC(=S)Nc1cccc2c(NC(=S)NC(=O)c3ccccc3)cccc12)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.76
ALDH1A1 P00352 7/20 0.72
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
HTT P42858 2/20 0.67
MAPK1 P28482 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
BLM P54132 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
MAPT P10636 5/20 0.66
TDP1 Q9NUW8 2/20 0.66
KDM4E B2RXH2 2/20 0.63
GAA P10253 1/20 0.63
ALOX12 P18054 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 1/20 0.62

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
SCHEMBL14162005 0.92 MEN1 (0.74) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL6118209 0.90 EPHX1 (0.78) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL8612464 0.85 EPHX1 (0.77) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL31741297 0.83 NPC1 (0.71) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL18550720 0.83 NPC1 (0.71) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL18550674 0.83 EPHX1 (0.64) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3148472 0.82 NPC1 (0.82) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL11364578 0.82 RAB9A (0.72) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3050543 0.82 EPHX1 (0.69) EPHX1ALDH1A1MEN1KMT2ANPC1
SCHEMBL5458132 0.82 RAB9A (0.75) EPHX1ALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9711733-B2 Organic thin film transistor, organic semiconductor thin film, and organic semiconductor material FUJIFILM CORPORATION (JP) 2017-07-18 US disclosed
US-20150340624-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL FUJIFILM CORPORATION (JP) 2015-11-26 US disclosed
EP-0611754-B1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same JUJO PAPER CO LTD (JP) 1998-04-22 EP disclosed
US-5723075-A HEAT RESISTANT ABSORBERS WITH RESINS FOR SHIELDS NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-03-03 US disclosed
EP-0611754-A1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-08-24 EP 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-20150340624-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR THIN FILM, AND ORGANIC SEMICONDUCTOR MATERIAL SLCO2A1, SLCO1A2, OR10J3 EPHX1 2200/4885ALDH1A1 2990/4885MEN1 1871/4885

“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.