SCHEMBL10155680

SCHEMBL10155680

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
TSHR P16473 3/20 0.42
LMNA P02545 4/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
CHRNA1 P02708 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
SCHEMBL3610880 0.83 MEN1 (0.46) KDM1ATSHRLMNAALDH1A1KMT2A
SCHEMBL10155681 0.81 LMNA (0.44) KDM1ALMNAALDH1A1KMT2AMEN1
SCHEMBL10155677 0.80 MEN1 (0.60) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL6678010 0.77 RAB9A (0.50) KDM1ALMNAALDH1A1KMT2AMEN1
SCHEMBL6677984 0.76 RAB9A (0.49) KDM1ALMNAALDH1A1KMT2AMEN1
SCHEMBL7245271 0.74 MAPT (0.50) KDM1ALMNAALDH1A1KMT2AMEN1
SCHEMBL10155679 0.74 KDM1A (0.56) KDM1ATSHRLMNAALDH1A1
SCHEMBL30492221 0.74 KDM1A (0.50) KDM1ATSHRLMNAPRSS1PRSS2
Hydrochloric Acid SCHEMBL10669381 0.74 KDM1A (0.44) KDM1ATSHRLMNAALDH1A1KMT2A
SCHEMBL26218870 0.72 KDM1A (0.54) KDM1ATSHRLMNAALDH1A1KMT2A

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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
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 KDM1A 2122/4885TSHR 837/4885LMNA 3717/4885

“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.