SCHEMBL7533377

SCHEMBL7533377

CCCNc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
IDO1 P14902 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A2 P43354 1/20 0.41
KCNQ2 O43526 1/20 0.40

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
SCHEMBL9069882 0.88 NR4A2 (0.53) HTTIDO1MAPTMEN1KMT2A
SCHEMBL9421891 0.86 MAPT (0.52) HTTIDO1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28958615 0.86 NR4A2 (0.51) HTTIDO1MAPTMEN1KMT2A
SCHEMBL28732815 0.84 ABL1 (0.49) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL11512622 0.84 IDO1 (0.55) HTTIDO1MAPTSIGMAR1ADRA2B
SCHEMBL9618236 0.83 MEN1 (0.47) HTTIDO1MAPTMEN1KMT2A
SCHEMBL1116563 0.82 IDO1 (0.48) HTTIDO1MAPTMEN1KMT2A
SCHEMBL20159233 0.81 TAAR1 (0.52) HTTIDO1MAPTMEN1KMT2A
SCHEMBL11505439 0.80 MAPT (0.47) HTTIDO1MAPTMEN1KMT2A
SCHEMBL11842072 0.78 MAPT (0.46) HTTIDO1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018118829-A1 HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
US-8470805-B2 Processes for preparing piperazinium salts of KMUP and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-06-25 US disclosed
US-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-06-09 US disclosed
US-20020137740-A1 Aminothiazole derivatives, process for preparing them and pharmaceutical compositions containing them FONTAINE EVELYNE (FR) 2002-09-26 US disclosed
EP-0934290-B1 AMINOTHIAZOLE DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-04-17 EP disclosed
US-6344470-B1 Aminothiazole derivatives, method of preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-02-05 US disclosed
US-4154945-A Fungicidal substituted imidazoles THE BOOTS COMPANY LIMITED (GB) 1979-05-15 US disclosed
US-4080462-A Fungicidal compositions containing substituted imidazoles THE BOOTS COMPANY LIMITED (EN) 1978-03-21 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-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF U2SURP, RRP15, KYNU HTT 4049/4885IDO1 2079/4885MAPT 3853/4885
US-20020137740-A1 Aminothiazole derivatives, process for preparing them and pharmaceutical compositions containing them CRHR1, ADRA1D, ADRB1 HTT 1902/4885IDO1 797/4885MAPT 1420/4885

“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.