SCHEMBL16289082

SCHEMBL16289082

Cc1cccc2cc(C#N)ccc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
ALDH1A1 P00352 3/20 0.48
CYP2A6 P11509 3/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AR P10275 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL7724437 0.85 CYP1A2 (0.57) CYP1A2CA1CA2ALDH1A1CYP2A6
SCHEMBL9670955 0.81 CYP1A2 (0.57) CYP1A2CA1CA2ALDH1A1CYP2A6
SCHEMBL16288876 0.81 CYP1A2 (0.57) CYP1A2CA1CA2ALDH1A1CYP2A6
SCHEMBL38656851 0.80 CA1 (0.56) CYP1A2CA1CA2CYP2A6SLC6A4
SCHEMBL29489126 0.78 CA1 (0.55) CYP1A2CA1CA2CYP2A6SLC6A4
SCHEMBL3970625 0.78 CYP1A2 (0.55) CYP1A2CA1CA2ALDH1A1CYP2A6
SCHEMBL818900 0.78 CA1 (0.55) CYP1A2CA1CA2CYP2A6SLC6A4
SCHEMBL16289542 0.78 CYP1A2 (0.53) CYP1A2CA1CA2ALDH1A1CYP2A6
SCHEMBL1343356 0.77 CA1 (0.58) CYP1A2CA1CA2CYP2A6SLC6A4
SCHEMBL4959376 0.77 PLAU (0.53) CYP1A2CA1CA2SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP 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 (3 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 CYP1A2 193/4885CA1 1032/4885CA2 1119/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 CYP1A2 355/4885CA1 1405/4885CA2 1763/4885
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CYP1A2 38/4885CA1 2494/4885CA2 2986/4885

“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.