SCHEMBL337016

SCHEMBL337016

Cc1cc(N)c2ccccc2[n+]1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 13/20 0.57
MEN1 O00255 4/20 0.57
GMNN O75496 4/20 0.57
LMNA P02545 4/20 0.57
POLB P06746 4/20 0.57
MAPT P10636 4/20 0.57
APEX1 P27695 4/20 0.57
RECQL P46063 4/20 0.57
BLM P54132 4/20 0.57
PMP22 Q01453 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPSR1 Q6W5P4 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
ACHE P22303 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 3/20 0.57
CYP3A4 P08684 3/20 0.57
HSD17B10 Q99714 3/20 0.57
CYP2D6 P10635 2/20 0.57

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 SCHEMBL29918121 0.98 PRKCA (0.58) PRKCAMEN1GMNNLMNAPOLB
Iodide SCHEMBL336306 0.98 PRKCA (0.58) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL20180489 0.79 ACHE (0.48) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL6600083 0.78 TERT (0.54) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL9976326 0.77 PRKCA (0.73) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL12903653 0.77 PRKCA (0.84) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL7256323 0.76 ACHE (0.45) PRKCAMEN1GMNNLMNAPOLB
Hydrochloric Acid SCHEMBL5848626 0.76 TERT (0.51) PRKCAMEN1GMNNLMNAPOLB
Iodide SCHEMBL10549487 0.74 ACHE (0.44) PRKCAMEN1GMNNLMNAPOLB
SCHEMBL8019789 0.73 ACHE (0.42) LMNAMAPTSMN1; SMN2ACHEALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705094-B1 DISULFIDE DYES BASF SE (DE) 2021-12-15 EP disclosed
US-8992633-B2 Disulfide dyes BASF SE (DE) 2015-03-31 US disclosed
US-8992633-B2 Disulfide dyes BASF SE (DE) 2015-03-31 US disclosed
US-20140157529-A1 DISULFIDE DYES BASF SE (DE) 2014-06-12 US disclosed
US-20140157529-A1 DISULFIDE DYES BASF SE (DE) 2014-06-12 US disclosed
EP-2705094-A1 DISULFIDE DYES BASF SE (DE) 2014-03-12 EP disclosed
WO-2012150549-A1 DISULFIDE DYES BASF SE (DE) 2012-11-08 WO disclosed
WO-2012150549-A1 DISULFIDE DYES BASF SE (DE) 2012-11-08 WO disclosed
US-8097756-B2 Process for producing carboxylic acid anhydrides CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2012-01-17 US disclosed
US-20100145098-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ANHYDRIDES CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2010-06-10 US disclosed
WO-2008149089-A1 ANTIMICROBIAL FORMULATIONS COMPRISING A COMBINATION OF A PYRIDINE THIOL AND A BIS-QUINOLINIUM SALT SYNTOPIX LIMITED (GB) 2008-12-11 WO 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 (2 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-20100145098-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ANHYDRIDES CA4, CA9, CA7 PRKCA 367/4885MEN1 3389/4885GMNN 2816/4885
US-20140157529-A1 DISULFIDE DYES KRT18, COL1A1, SULT1A1 PRKCA 3584/4885MEN1 4833/4885GMNN 4197/4885

“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.