SCHEMBL3148086

SCHEMBL3148086

[CH2]COCc1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TAAR1 Q96RJ0 2/20 0.41
AKR1B1 P15121 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
IDO1 P14902 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
DPP4 P27487 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL865249 0.85 SMN1; SMN2 (0.52) SMN1; SMN2TAAR1AKR1B1KMT2AKDM4E
SCHEMBL17055847 0.77 KDM4E (0.53) SMN1; SMN2TAAR1AKR1B1KMT2AKDM4E
SCHEMBL3156120 0.77 IDO1 (0.60) TAAR1KMT2AKDM4EPOLBALDH1A1
SCHEMBL4796828 0.76 SMN1; SMN2 (0.48) SMN1; SMN2TAAR1AKR1B1KMT2AKDM4E
SCHEMBL3160629 0.76 IDO1 (0.57) TAAR1IDO1
SCHEMBL925766 0.74 SMN1; SMN2 (0.43) SMN1; SMN2TAAR1AKR1B1KMT2AKDM4E
SCHEMBL18788868 0.74 TSHR (0.62) SMN1; SMN2AKR1B1KMT2AALDH1A1IDO1
SCHEMBL10457899 0.74 TAAR1 (0.43) SMN1; SMN2TAAR1AKR1B1KMT2AKDM4E
SCHEMBL3162254 0.73 IDO1 (0.34) IDO1
SCHEMBL2091194 0.73 SLC22A12 (0.36) TAAR1ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 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 (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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 SMN1; SMN2 3564/4885TAAR1 70/4885AKR1B1 981/4885

“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.