SCHEMBL20353961

SCHEMBL20353961

O=C(S)NCc1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.59
▸ HDAC2 Q92769 3/20 0.59
▸ CYP1A2 P05177 1/20 0.50
▸ ADORA2A P29274 2/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.45
▸ GPBAR1 Q8TDU6 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL15578063 0.85 HDAC1 (0.61) HDAC1HDAC2CYP1A2ADORA2AADORA1
SCHEMBL19407338 0.83 NPSR1 (0.64) HDAC1HDAC2CYP1A2ADORA2AADORA1
SCHEMBL29858336 0.83 NPSR1 (0.64) HDAC1HDAC2CYP1A2ADORA2AADORA1
SCHEMBL933223 0.81 HDAC1 (0.64) HDAC1HDAC2CYP1A2ADORA2AADORA1
SCHEMBL20353962 0.80 CYP1A2 (0.61) HDAC1HDAC2CYP1A2ADORA2AADORA1
SCHEMBL31536348 0.80 HDAC1 (0.56) HDAC1HDAC2CYP1A2ADORA2AADORA1
SCHEMBL7759109 0.77 CYP1A2 (0.63) HDAC1HDAC2CYP1A2ALDH1A1GAA
SCHEMBL11700881 0.77 HDAC1 (0.53) HDAC1HDAC2CYP1A2ADORA2AADORA1
SCHEMBL5547093 0.77 HDAC1 (0.55) HDAC1HDAC2CYP1A2HDAC8HDAC6
SCHEMBL24943587 0.76 HDAC1 (0.55) HDAC1HDAC2CYP1A2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 — — 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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX HDAC1 1020/4885HDAC2 698/4885CYP1A2 387/4885

“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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