SCHEMBL10155677

SCHEMBL10155677

O=C(NC(=S)NC1(c2cccc([N+](=O)[O-])c2)CCCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 3/20 0.60
POLB P06746 2/20 0.60
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
EPHX1 P07099 1/20 0.48

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
SCHEMBL3610880 0.81 MEN1 (0.46) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL10155680 0.80 KDM1A (0.47) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL31546674 0.77 L3MBTL1 (0.58) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL10155681 0.76 LMNA (0.44) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL11068063 0.73 KMT2A (0.74) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6678010 0.73 RAB9A (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6677984 0.72 RAB9A (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7245271 0.70 MAPT (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6676866 0.70 AKR1C1 (0.57) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6674979 0.69 AKR1C1 (0.56) MEN1KMT2AMAPTRAB9ANPC1

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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP MEN1 3671/4885KMT2A 1656/4885MAPT 40/4885

“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.