SCHEMBL16108166

SCHEMBL16108166

NC(=S)NCc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALOX12 P18054 2/20 0.55
LMNA P02545 2/20 0.53
PLA2G1B P04054 1/20 0.53
HPGD P15428 1/20 0.53
MAOB P27338 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
CYP19A1 P11511 1/20 0.51
CHRM2 P08172 1/20 0.50
PNMT P11086 1/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49

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
Hydrochloric Acid SCHEMBL27580301 0.98 MAPT (0.54) MAPTALOX12LMNAPLA2G1BHPGD
SCHEMBL13134026 0.82 HTR3E (0.61) MAPTALOX12HTR3EHTR3BHTR3A
SCHEMBL626329 0.82 CYP2C9 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL538275 0.81 HTR3E (0.59) MAPTALOX12LMNAHTR3EHTR3B
SCHEMBL31362037 0.80 PKM (0.61) MAPTALOX12LMNAHPGDALDH1A1
SCHEMBL25780410 0.79 GABRP (0.54) NPC1RAB9A
SCHEMBL20496878 0.79 MAPT (0.59) MAPTALOX12LMNAPLA2G1BHPGD
SCHEMBL5527072 0.79 ALDH1A1 (0.54) MAPTALOX12LMNAHPGDALDH1A1
SCHEMBL5528698 0.79 PTPN7 (0.50) MAPTALOX12LMNAPLA2G1BATG4B
SCHEMBL3421753 0.77 AOC3 (0.62) MAPTALOX12LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US disclosed
CN-1376155-A Thiourea and isothiourea derivatives for inhibiting RAS-transformed cell growth YUHAN CORP (KR) 2002-10-23 CN 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 (1 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-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE MAPT 211/4885ALOX12 1584/4885LMNA 1932/4885

“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.