SCHEMBL6123166

SCHEMBL6123166

Brc1csc(Cc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC8 Q9BY41 1/20 0.55
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 3/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
GAA P10253 2/20 0.43
LTA4H P09960 1/20 0.41
MAPT P10636 3/20 0.41
ECE1 P42892 1/20 0.41
CALM1 P0DP23 1/20 0.41
ENPP2 Q13822 1/20 0.39
MEN1 O00255 1/20 0.38
CD74 P04233 1/20 0.38

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
SCHEMBL2583325 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL6848047 0.77 ALDH1A1 (0.61) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL2056290 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL8432354 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL11052563 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL14133319 0.76 ALDH1A1 (0.64) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL5656467 0.74 HDAC1 (0.55) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL5659797 0.74 HDAC1 (0.55) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL10916542 0.74 HDAC1 (0.53) HDAC1HDAC6HDAC8ALDH1A1RAB9A
SCHEMBL10918996 0.74 HDAC1 (0.58) HDAC1HDAC6HDAC8ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 US disclosed
EP-2455371-B1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS BIOTECH CORP (JP) 2013-12-25 EP disclosed
EP-2664238-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVE-CONTAINING PEST CONTROL COMPOSITION FOR AGRICULTURAL OR HORTICULTURAL USE SDS Biotech K. K. (JP) 2013-11-20 EP disclosed
US-8586505-B2 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use SDS BIOTECH K. K. (JP) 2013-11-19 US disclosed
US-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives SDS BIOTECH K.K. (JP) 2013-11-07 US disclosed
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 US disclosed
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP 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-20130296271-A1 Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives HCN1, HCN2, HCN3 HDAC1 299/4885HDAC6 675/4885HDAC8 753/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HDAC1 616/4885HDAC6 1732/4885HDAC8 959/4885

“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.