SCHEMBL3978079

SCHEMBL3978079

S=C(Nc1ccccc1)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.68
CYP1A2 P05177 4/20 0.68
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAOA P21397 3/20 0.61
MAOB P27338 2/20 0.61
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 3/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
CYP2D6 P10635 2/20 0.51

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
SCHEMBL3982042 0.84 KDM4E (0.57) CYP3A4CYP1A2MAPTALDH1A1KMT2A
SCHEMBL3982094 0.84 CYP1A2 (0.56) CYP3A4CYP1A2MAPTALDH1A1MAOA
SCHEMBL3984222 0.84 CYP1A2 (0.57) CYP3A4CYP1A2MAPTALDH1A1MAOA
SCHEMBL3980742 0.82 MAPT (0.67) CYP3A4CYP1A2MAPTALDH1A1MAOA
SCHEMBL3982540 0.82 CYP1A2 (0.56) CYP3A4CYP1A2MAPTALDH1A1KMT2A
SCHEMBL13772046 0.82 CYP1A2 (1.00) CYP3A4CYP1A2MAPTALDH1A1MAOA
SCHEMBL3976112 0.81 SLC1A3 (0.55) CYP3A4CYP1A2MAPTALDH1A1MAOA
SCHEMBL3979414 0.81 KMT2A (0.57) CYP3A4CYP1A2MAPTALDH1A1MAOA
SCHEMBL3977078 0.81 CYP1A2 (0.54) CYP3A4CYP1A2MAPTALDH1A1MAOA
SCHEMBL3974424 0.80 ALDH1A1 (0.51) CYP3A4CYP1A2MAPTALDH1A1KMT2A

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 CYP3A4 409/4885CYP1A2 555/4885MAPT 3656/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 CYP3A4 393/4885CYP1A2 556/4885MAPT 3833/4885

“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.