SCHEMBL2165282

SCHEMBL2165282

CCCCCNC(=S)N1CCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
NOTUM Q6P988 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
SCHEMBL2165230 0.90 ALDH1A1 (0.56) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL160329 0.84 ALDH1A1 (0.58) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL7659645 0.80 MAPT (0.59) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14288537 0.79 HTT (0.50) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL173546 0.76 GAA (0.60) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL14288535 0.75 LMNA (0.44) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL4863318 0.74 AVPR2 (0.58) LMNAPOLBADRB2ADRB1ADRB3
SCHEMBL4869903 0.74 AVPR2 (0.58) LMNAPOLBADRB2ADRB1ADRB3
SCHEMBL30204966 0.73 MAPT (0.61) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL24792550 0.73 MGLL (0.53) ALDH1A1MAPTKMT2AMEN1NPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-7985763-B2 using an thiourea compound or carbonyl thiourea compound; therapy for drug resistant infections NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-07-26 US disclosed
US-7985763-B2 using an thiourea compound or carbonyl thiourea compound; therapy for drug resistant infections NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-07-26 US disclosed
US-7985763-B2 using an thiourea compound or carbonyl thiourea compound; therapy for drug resistant infections NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-07-26 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
WO-2008124300-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 WO disclosed
WO-2008124300-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 WO disclosed
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 US disclosed
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 US disclosed
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 US 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-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds CLN6, MSR1, TPMT ALDH1A1 1958/4885MAPT 27/4885LMNA 4754/4885
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, ZC3HAV1, ZC3HAV1L ALDH1A1 4004/4885MAPT 2142/4885LMNA 1064/4885

“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.