SCHEMBL12220240

SCHEMBL12220240

CN1CN(C)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BRD4 O60885 3/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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 SCHEMBL2193919 0.97 GAA (0.58) GAAALDH1A1KMT2AKDM4EMAPT
Acetic Acid SCHEMBL27980670 0.89 GAA (0.50) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL28276832 0.85 GAA (0.47) GAAKMT2ATSHRSMN1; SMN2
SCHEMBL27980063 0.84 GAA (0.46) GAAKMT2ATSHRSMN1; SMN2SLC6A4
SCHEMBL27980234 0.81 GAA (0.42) GAAALDH1A1KMT2AMAPTRAB9A
SCHEMBL27980259 0.81 GAA (0.43) GAAALDH1A1KMT2AKDM4EMAPT
Bromide SCHEMBL2195679 0.77 ALDH1A1 (0.41) GAAALDH1A1KMT2ANPC1
SCHEMBL7088419 0.75 ALDH1A1 (0.47) ALDH1A1KMT2ABRD4NPC1RAB9A
SCHEMBL24220791 0.71 HTR7 (0.36) GAAALDH1A1KMT2AMAPTBRD4
SCHEMBL29444128 0.69 ALDH1A1 (0.61) GAAALDH1A1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136585-A Imidazolium salts as additives for fuels and combustibles BASF SE 2014-11-05 — — CN disclosed
US-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 — — US disclosed
EP-2268652-B1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 — — EP 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 GAA 3392/4885ALDH1A1 3979/4885KMT2A 3456/4885

“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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