SCHEMBL19287965

SCHEMBL19287965

O=C1NC(S)N/C1=C\c1ccc2oc3ccccc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ MAOA P21397 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PGAM1 P18669 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL19697343 0.75 MEN1 (0.40) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL16987573 0.75 MEN1 (0.59) ALDH1A1MAPTMEN1KMT2A
SCHEMBL16987574 0.75 MEN1 (0.59) ALDH1A1MAPTMEN1KMT2A
SCHEMBL16787484 0.75 MEN1 (0.59) ALDH1A1MAPTMEN1KMT2A
SCHEMBL14622042 0.72 PTGS1 (0.43) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL16998374 0.71 MAOA (0.37) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL1420897 0.69 MAPT (0.53) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL16762221 0.68 XDH (0.53) RAB9AMEN1KMT2AMAOA
SCHEMBL16762254 0.68 PIM1 (0.61) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL16762257 0.68 PIM1 (0.61) ALDH1A1MAPTRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2018-07-10 — — US disclosed
US-9745323-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2017-08-29 — — 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-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor VHL, TP53, COMT SMN1; SMN2 161/4885KDM4E 2440/4885ALDH1A1 1271/4885

“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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