SCHEMBL18199244

SCHEMBL18199244

CNNC(N)=Nc1nc(CCl)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 1/20 0.40
HRH2 P25021 3/20 0.36
SLC22A2 O15244 2/20 0.36
CA12 O43570 2/20 0.36
SLC22A3 O75751 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
MAOA P21397 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
POU5F1 Q01860 2/20 0.36
CA9 Q16790 2/20 0.36
SLC47A2 Q86VL8 2/20 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
SCHEMBL16386198 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AHRH2SLC22A2CA12
SCHEMBL10776417 0.79 SLC22A2 (0.50) SMN1; SMN2HRH2SLC22A2CA12SLC22A3
Hydrochloric Acid SCHEMBL8934520 0.78 SLC22A2 (0.49) SMN1; SMN2HRH2SLC22A2CA12SLC22A3
SCHEMBL16386448 0.78 SMN1; SMN2 (0.32) SMN1; SMN2KMT2AHRH2SLC22A2CA12
SCHEMBL16386195 0.76 HRH2 (0.36) SMN1; SMN2KMT2AHRH2SLC22A2CA12
SCHEMBL16386449 0.73 MAPT (0.38) SMN1; SMN2HRH2SLC22A2CA12SLC22A3
Hydrochloric Acid SCHEMBL10960221 0.66 KMT2A (0.59) SMN1; SMN2KMT2ALMNAMAPTATP4A
Hydrochloric Acid SCHEMBL10960212 0.66 KMT2A (0.59) SMN1; SMN2KMT2ALMNAMAPTATP4A
SCHEMBL5879530 0.64 CYP1A2 (0.50) SMN1; SMN2HRH2SLC22A2CA12SLC22A3
SCHEMBL16386106 0.64 CYP2D6 (0.47) SMN1; SMN2HRH2SLC22A2CA12SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2016-11-03 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 (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-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SLCO1B3, SLC22A8, SLC10A6 SMN1; SMN2 4777/4885KMT2A 3316/4885HRH2 2384/4885

“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.