SCHEMBL15726348

SCHEMBL15726348

Cn1nccc1-c1cccc(-c2ccnn2C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.47
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAPT P10636 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL12269929 0.88 CCR1 (0.54) COMTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30797999 0.87 ALDH1A1 (0.41) COMTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL20817544 0.87 ALDH1A1 (0.41) COMTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL18422770 0.87 ALDH1A1 (0.41) COMTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL16775698 0.84 COMT (0.39) COMTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL23087554 0.82 COMT (0.38) COMTALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL29289853 0.82 IRAK4 (0.45) COMTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL29735282 0.82 COMT (0.38) COMTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL31704800 0.81 KDM4E (0.48) COMTALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL31098626 0.81 IRAK4 (0.38) COMTALDH1A1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920186-B1 NOVEL GOLD(III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR APPLICATIONS IN CANCER TREATMENT AND THIOL DETECTION UNIV HONG KONG (CN) 2018-06-27 EP disclosed
US-8828984-B2 Gold(III) complexes containing N-heterocyclic carbene ligand, synthesis, and their applications in cancer treatment and thiol detection THE UNIVERSITY OF HONG KONG (CN) 2014-09-09 US disclosed
US-8828984-B2 Gold(III) complexes containing N-heterocyclic carbene ligand, synthesis, and their applications in cancer treatment and thiol detection THE UNIVERSITY OF HONG KONG (CN) 2014-09-09 US disclosed
WO-2014075394-A1 NOVEL GOLD(III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR APPLICATIONS IN CANCER TREATMENT AND THIOL DETECTION THE UNIVERSITY OF HONG KONG (CN) 2014-05-22 WO disclosed
US-20140142080-A1 NOVEL GOLD(III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR APPLICATIONS IN CANCER TREATMENT AND THIOL DETECTION UNIVERSITY OF HONG KONG (CN) 2014-05-22 US disclosed
US-20140142080-A1 NOVEL GOLD(III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR APPLICATIONS IN CANCER TREATMENT AND THIOL DETECTION UNIVERSITY OF HONG KONG (CN) 2014-05-22 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-20140142080-A1 NOVEL GOLD(III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR APPLICATIONS IN CANCER TREATMENT AND THIOL DETECTION TXNRD3, TXNRD1, TXN COMT 3017/4885ALDH1A1 410/4885KDM4E 4037/4885

“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.