SCHEMBL4253135

SCHEMBL4253135

CN(C)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 2/20 0.59
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 1/20 0.49
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.44
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4088965 0.86 CYP1A2 (0.62) MAPTALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL3984000 0.85 RAB9A (0.49) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL3977947 0.83 RAB9A (0.47) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL3984275 0.82 CYP1A2 (0.54) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL3981989 0.81 RAB9A (0.45) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL13612898 0.81 CYP1A2 (0.54) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL3978108 0.79 CYP1A2 (0.77) MAPTALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL3980301 0.79 CYP1A2 (0.54) MAPTALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL3973701 0.78 RAB9A (0.54) MAPTALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL3982914 0.78 CYP1A2 (0.48) MAPTALDH1A1SMN1; SMN2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN disclosed
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 WO 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 (2 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 MAPT 3656/4885ALDH1A1 820/4885SMN1; SMN2 3723/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MAPT 3833/4885ALDH1A1 500/4885SMN1; SMN2 3639/4885

“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.