SCHEMBL3979628

SCHEMBL3979628

S=C(NCCc1ccccc1)Nc1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 1/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
MAPT P10636 8/20 0.60
LMNA P02545 6/20 0.60
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.57
HTT P42858 1/20 0.57
GAA P10253 3/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
BCL6 P41182 1/20 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
SCHEMBL3977435 0.95 KMT2A (0.65) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3978454 0.95 KMT2A (0.63) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3978647 0.92 MAPT (0.56) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3973713 0.91 MAPT (0.58) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL4278907 0.90 MAPT (0.60) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3974861 0.90 MAPT (0.60) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3978324 0.90 MAPT (0.60) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3979417 0.90 MAPT (0.60) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3973774 0.89 POLB (0.55) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL3978198 0.87 ALDH1A1 (0.51) RAB9ANPC1MAPTLMNAALDH1A1

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 RAB9A 2434/4885NPC1 1677/4885MAOA 4596/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 RAB9A 2430/4885NPC1 1372/4885MAOA 4511/4885

“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.