SCHEMBL9064559

SCHEMBL9064559

CSC1=NN(c2ccccc2)C(C)N1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.36
▸ MAPT P10636 10/20 0.36
▸ MEN1 O00255 8/20 0.36
▸ KMT2A Q03164 8/20 0.36
▸ GLA P06280 6/20 0.36
▸ HPGD P15428 6/20 0.36
▸ GAA P10253 4/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ ATM Q13315 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ HTT P42858 1/20 0.35
▸ LOX P28300 1/20 0.34
▸ LOXL3 P58215 1/20 0.34
▸ LOXL4 Q96JB6 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34

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
Iodide SCHEMBL9067656 0.98 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL17916652 0.75 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL145320 0.67 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL18290913 0.64 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL12140369 0.64 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL18637302 0.63 LOX (0.38) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL12787319 0.63 GAA (0.39) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL11921034 0.63 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2AGLA
SCHEMBL28567806 0.62 CACNA1G (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11038033 0.62 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AGLA

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-5486581-A IODIDE SALTS SHELL OIL COMPANY (US) 1996-01-23 — — US claimed
US-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 — — US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 — — 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-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT ALDH1A1 3979/4885MAPT 4065/4885MEN1 3327/4885

“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.

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