SCHEMBL4216264

SCHEMBL4216264

C1=CN(c2cccc3ccccc23)CN1c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
NCF1 P14598 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
MTOR P42345 1/20 0.48
HTR3A P46098 1/20 0.48
HTR5A P47898 1/20 0.48
HTR6 P50406 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL3517237 0.76 HSD17B10 (0.47) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL16098079 0.75 DPP4 (0.42) CYP1A2CYP2D6ALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL6888155 0.75 ALDH1A1 (0.49) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL10972103 0.75 HSD17B10 (0.42) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL29526352 0.75 HSD17B10 (0.46) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL8355768 0.75 HSD17B10 (0.42) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL3319952 0.75 HSD17B10 (0.42) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL17766598 0.75 HSD17B10 (0.46) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL572749 0.75 HSD17B10 (0.46) HSD17B10TSHRCYP1A2HTR3EHTR3B
SCHEMBL1876619 0.74 NCF1 (0.69) HSD17B10TSHRCYP1A2HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10588222-B2 Coating metal foil with n-heterocyclic carbene compounds containing organic functionalities for improving metal-to-resin adhesion INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-03-10 US disclosed
US-20200053886-A1 COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-02-13 US disclosed
US-10506723-B2 Enhanced substrate includes a carbene-coated metal foil laminated to a substrate that includes glass fiber impregnated with a base polymer INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-12-10 US disclosed
US-20180168051-A1 COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-06-14 US disclosed
US-9974193-B2 Coating metal foil with N-heterocyclic carbene compounds containing organic functionalities for improving metal-to-resin adhesion INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-15 US disclosed
US-20170170420-A1 ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2017-06-15 US disclosed
US-20160157361-A1 COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-06-02 US disclosed
US-20160157362-A1 COATING METAL FOIL WITH N-HETEROCYCLIC CARBENE COMPOUNDS CONTAINING ORGANIC FUNCTIONALITIES FOR IMPROVING METAL-TO-RESIN ADHESION INTERNATIONAL BUSINESS MACHINES CORPORATION 2016-06-02 US disclosed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 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-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 HSD17B10 2780/4885TSHR 860/4885CYP1A2 325/4885

“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.