SCHEMBL16987574

SCHEMBL16987574

O=C1NC(=S)NC1=Cc1ccc2oc3ccccc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ IDH1 O75874 3/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CBS P35520 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ PRF1 P14222 3/20 0.46
▸ TOP1 P11387 2/20 0.44
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 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
SCHEMBL16987573 1.00 MEN1 (0.59) MEN1KMT2AIDH1MAPTALDH1A1
SCHEMBL16787484 1.00 MEN1 (0.59) MEN1KMT2AIDH1MAPTALDH1A1
SCHEMBL19697343 0.84 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1CSNK2A2
SCHEMBL16998374 0.80 MAOA (0.37) MEN1KMT2AMAPTALDH1A1
SCHEMBL16762257 0.77 PIM1 (0.61) MEN1KMT2AMAPTALDH1A1
SCHEMBL16762254 0.77 PIM1 (0.61) MEN1KMT2AMAPTALDH1A1
SCHEMBL16762252 0.77 PIM1 (0.61) MEN1KMT2AMAPTALDH1A1
SCHEMBL14622042 0.76 PTGS1 (0.43) MEN1KMT2AMAPTALDH1A1
SCHEMBL19287965 0.75 SMN1; SMN2 (0.38) MEN1KMT2AMAPTALDH1A1
SCHEMBL12706773 0.73 KMT2A (0.66) MEN1KMT2AIDH1MAPTALDH1A1

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 3 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-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2017-12-14 — — US disclosed
US-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2015-08-13 — — 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 (3 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-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT MEN1 31/4885KMT2A 277/4885IDH1 192/4885
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT MEN1 31/4885KMT2A 277/4885IDH1 192/4885
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor VHL, TP53, COMT MEN1 31/4885KMT2A 277/4885IDH1 192/4885

“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.

Send feedback