SCHEMBL2601865

SCHEMBL2601865

C#CCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
KDM1A O60341 6/20 0.49
PTGS1 P23219 3/20 0.49
PTGS2 P35354 2/20 0.49
PIM1 P11309 1/20 0.49
LMNA P02545 4/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
CYP2D6 P10635 3/20 0.46
SLC22A1 O15245 2/20 0.46
PRNP P04156 2/20 0.46
CYP1A2 P05177 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
HTR1A P08908 2/20 0.46
CHRM5 P08912 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD2 P14416 2/20 0.46

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
SCHEMBL11725782 0.86 ITGB2 (0.59) KMT2AMEN1KDM1APIM1LMNA
SCHEMBL29628227 0.86 ITGB2 (0.59) KMT2AMEN1KDM1APIM1LMNA
SCHEMBL24039977 0.81 KDM1A (0.54) KMT2AMEN1KDM1APIM1LMNA
SCHEMBL21436177 0.78 MEN1 (0.50) KMT2AMEN1KDM1APTGS1PTGS2
SCHEMBL9382075 0.74 TSHR (0.56) KMT2AMEN1LMNAMAOAMAOB
SCHEMBL1581710 0.72 KDM1A (0.53) KMT2AMEN1KDM1APTGS1PTGS2
SCHEMBL9077379 0.72 PTGS1 (0.58) KMT2AMEN1KDM1APTGS1PTGS2
SCHEMBL29557425 0.72 KDM1A (0.61) KMT2AKDM1APTGS1PTGS2PIM1
SCHEMBL10690359 0.72 PIM1 (0.63) KMT2AMEN1KDM1APTGS1PTGS2
SCHEMBL293951 0.72 KDM1A (0.61) KMT2AKDM1APTGS1PTGS2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10406227-B2 Photoactivated molecules for light-induced modulation of the activity of electrically excitable cells and methods of using same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-10 US disclosed
EP-3027229-B1 PHOTOACTIVATED MOLECULES FOR LIGHT-INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING SAME UNIV SOUTHERN CALIFORNIA (US) 2019-07-17 EP disclosed
US-10232043-B2 Photoactivated molecules for light-induced modulation of the activity of electrically excitable cells and methods of using the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-03-19 US disclosed
US-20170189530-A1 PHOTOACTIVATED MOLECULES FOR LIGHT INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING THE SAME UNIVERSITY OF SOUTHERN CALIFORNIA 2017-07-06 US disclosed
WO-2017031380-A1 PHOTOACTIVATED MOLECULES FOR LIGHT-INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-02-23 WO disclosed
EP-3027229-A1 PHOTOACTIVATED MOLECULES FOR LIGHT-INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING SAME University of Southern California (US) 2016-06-08 EP disclosed
US-20150328313-A1 PHOTOACTIVATED MOLECULES FOR LIGHT-INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING SAME UNIVERSITY OF SOUTHERN CALIFORNIA 2015-11-19 US disclosed
WO-2014100283-A1 PHOTOACTIVATED MOLECULES FOR LIGHT-INDUCED MODULATION OF THE ACTIVITY OF ELECTRICALLY EXCITABLE CELLS AND METHODS OF USING SAME UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-06-26 WO disclosed
US-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 US disclosed
US-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS NDSU RESEARCH FOUNDATION (US) 2012-04-26 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 (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-20120100628-A1 EMISSIVE AND BROADBAND NONLINEAR ABSORBING METAL COMPLEXES AND LIGANDS AS OLED, OPTICAL SWITCHING OR OPTICAL SENSING MATERIALS OCIAD2, OCIAD1, NONO KMT2A 2880/4885MEN1 1678/4885KDM1A 4438/4885
US-10406227-B2 Photoactivated molecules for light-induced modulation of the activity of electrically excitable cells and methods of using same TRPM8, TRPM2, TRPM4 KMT2A 3627/4885MEN1 2398/4885KDM1A 3978/4885

“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.