SCHEMBL3974424

SCHEMBL3974424

S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MAPT P10636 11/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EPHX1 P07099 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
RAB9A P51151 4/20 0.47
GAA P10253 4/20 0.47
USP2 O75604 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28782735 0.85 MAPK1 (0.59) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3978079 0.80 CYP3A4 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL4982196 0.78 MAPT (0.44) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3984222 0.76 CYP1A2 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3976112 0.73 SLC1A3 (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3977078 0.73 CYP1A2 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL28782733 0.73 TAAR1 (0.46)
SCHEMBL3982042 0.71 KDM4E (0.57) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14385666 0.71 EPHX1 (0.69) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3981627 0.71 CYP1A2 (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 ALDH1A1 820/4885MAPT 3656/4885MEN1 2494/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 ALDH1A1 500/4885MAPT 3833/4885MEN1 2000/4885

“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.