SCHEMBL19984377

SCHEMBL19984377

CCCn1ccnc1N(C)Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TLR8 Q9NR97 2/20 0.40
MAPT P10636 1/20 0.36
PDE4A P27815 2/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE1C Q14123 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL19977154 0.86 TLR8 (0.54) KMT2AALDH1A1POLBTLR8MAPT
SCHEMBL28193377 0.72
SCHEMBL5656313 0.72 MAPT (0.40) KMT2AALDH1A1POLBTLR8MAPT
SCHEMBL15769685 0.71 ALDH1A1 (0.50) KMT2AALDH1A1POLBTLR8MAPT
SCHEMBL82664 0.70
SCHEMBL15014467 0.69 SMN1; SMN2 (0.60) KMT2AALDH1A1POLBTLR8MAPT
Hydrochloric Acid SCHEMBL5655972 0.69 SMN1; SMN2 (0.47) KMT2AALDH1A1POLBTLR8MAPT
Iodide SCHEMBL5538014 0.68 ALDH1A1 (0.74) KMT2AALDH1A1POLBTLR8SMN1; SMN2
Iodide SCHEMBL876466 0.68 ALDH1A1 (0.74) KMT2AALDH1A1POLBTLR8SMN1; SMN2
SCHEMBL20558710 0.68

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-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 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-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 KMT2A 1974/4885ALDH1A1 1345/4885POLB 1469/4885

“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.