SCHEMBL8013758

SCHEMBL8013758

Cc1cc(=S)oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ MAOB P27338 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PGAM1 P18669 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ TNKS O95271 1/20 0.39

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
SCHEMBL3539013 0.75 CA12 (0.60) CA12CA9CA1MAOAALDH1A1
SCHEMBL24522662 0.75 CA12 (0.46) CA12CA9CA1MAOBMAOA
SCHEMBL29474940 0.75 MAOA (0.74) CA12CA9CA1MAOBMAOA
SCHEMBL66891 0.75 MAOA (0.74) CA12CA9CA1MAOBMAOA
SCHEMBL5713279 0.75 CA12 (0.46) CA12CA9CA1MAOBMAOA
SCHEMBL8006841 0.75 ALDH1A1 (0.64) CA12CA9CA1MAOBCYP1A2
SCHEMBL8009545 0.75 HSD17B3 (0.64) CA12CA9CA1MAOBCYP1A2
Hydrochloric Acid SCHEMBL27839067 0.73 MAOA (0.72) CA12CA9CA1MAOBMAOA
Water SCHEMBL28315263 0.73 MAOA (0.72) CA12CA9CA1MAOBMAOA
SCHEMBL27924128 0.73 MAOA (0.72) CA12CA9CA1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63089388-A — — None — — JP disclosed
JP-62057465-A — — None — — JP disclosed
JP-62034957-A — — None — — JP disclosed
WO-2024175605-A1 METAL COMPLEX COMPOUNDS AS PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY UNIVERSITAT DE BARCELONA (ES) 2024-08-29 — — WO disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US disclosed
WO-2014210319-A2 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 — — WO disclosed
US-6143434-A HIGH LUMINANCE AND A HIGH LUMINESCENT EFFICIENCY AT A LOW DRIVING VOLTAGE AND HAS EXCELLENT STABILITY IN REPETITIONS OF USE FUJI PHOTO FILM CO., LTD. (JP) 2000-11-07 — — US disclosed
JP-S6389388-A OPTICAL INFORMATION RECORDING MEDIUM FUJI PHOTO FILM CO LTD 1988-04-20 — — JP disclosed
JP-S6257465-A NOVEL METHINE DYE FUJI PHOTO FILM CO LTD 1987-03-13 — — JP disclosed
JP-S6234957-A NOVEL METHINE DYE FUJI PHOTO FILM CO LTD 1987-02-14 — — JP 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-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 CA12 4188/4885CA9 3217/4885CA1 2971/4885

“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.

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