SCHEMBL10167871

SCHEMBL10167871

NCC(=O)N1CCCN(Sc2ccc3cnccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 12/20 0.49
HPGD P15428 1/20 0.39
FASN P49327 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
PRKD1 Q15139 1/20 0.36
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL10167838 0.81 PRMT3 (0.44) PRMT3HPGDMMP13KDM2B
SCHEMBL10135799 0.78 PRMT3 (0.49) PRMT3
SCHEMBL566185 0.76 ATM (0.53) PRMT3
Hydrochloric Acid SCHEMBL567277 0.75 ATM (0.52) PRMT3
SCHEMBL10135802 0.70 PRMT3 (0.43) PRMT3PIM1KDM2B
SCHEMBL568035 0.68 MMP1 (0.48) PRMT3MMP13
SCHEMBL568036 0.68 MMP1 (0.48) PRMT3MMP13
Hydrochloric Acid SCHEMBL566459 0.68 MMP1 (0.49) PRMT3MMP13
Hydrochloric Acid SCHEMBL566458 0.68 MMP1 (0.49) PRMT3MMP13
SCHEMBL10135806 0.68 PRMT3 (0.43) PRMT3HPGDPIM1KDM2B

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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 PRMT3 237/4885HPGD 2697/4885FASN 2700/4885

“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.