SCHEMBL3973713

SCHEMBL3973713

CCCCNC(=S)Nc1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.58
LMNA P02545 9/20 0.58
ALDH1A1 P00352 9/20 0.58
KMT2A Q03164 8/20 0.58
HTT P42858 5/20 0.58
MEN1 O00255 4/20 0.58
GAA P10253 5/20 0.57
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
ALOX12 P18054 3/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.52
NPC1 O15118 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
RAB9A P51151 1/20 0.49
ALPL P05186 1/20 0.48

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
SCHEMBL3979417 0.97 MAPT (0.60) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL4278907 0.97 MAPT (0.60) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3978324 0.97 MAPT (0.60) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3974861 0.97 MAPT (0.60) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3978647 0.94 MAPT (0.56) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3978454 0.93 KMT2A (0.63) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3977435 0.93 KMT2A (0.65) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3979628 0.91 RAB9A (0.60) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3973774 0.90 POLB (0.55) MAPTLMNAALDH1A1KMT2AHTT
SCHEMBL3978198 0.85 ALDH1A1 (0.51) MAPTLMNAALDH1A1KMT2AHTT

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 3656/4885LMNA 4873/4885ALDH1A1 820/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MAPT 3833/4885LMNA 4858/4885ALDH1A1 500/4885

“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.