SCHEMBL3979414

SCHEMBL3979414

S=C(NCCCc1ccccc1)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MAPT P10636 9/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 5/20 0.55
HTT P42858 2/20 0.55
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
GAA P10253 2/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL3983505 0.97 MAPT (0.56) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL3980742 0.93 MAPT (0.67) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL3982094 0.86 CYP1A2 (0.56) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL4261173 0.84 CYP1A2 (0.53) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL3982022 0.83 CYP1A2 (0.52) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL3980293 0.82 CYP1A2 (0.51) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL3977111 0.82 CYP1A2 (0.51) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL4265186 0.82 CYP1A2 (0.51) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL3981627 0.81 CYP1A2 (0.63) KMT2AMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL3977663 0.81 GAA (0.53) MAPTSMN1; SMN2RAB9ALMNAALDH1A1

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 KMT2A 1846/4885MAPT 3656/4885SMN1; SMN2 3723/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 KMT2A 2203/4885MAPT 3833/4885SMN1; 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.