SCHEMBL17907448

SCHEMBL17907448

NCc1ccc2ccc(CN)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
ASIC3 Q9UHC3 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
ROCK1 Q13464 1/20 0.47
LOXL2 Q9Y4K0 3/20 0.46
ABAT P80404 1/20 0.43
PNMT P11086 1/20 0.42
ENPP2 Q13822 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL29463734 1.00 CYP2A6 (0.52) CYP2A6CA12CA1CA2CA3
SCHEMBL9016348 0.91 ASIC3 (0.57) CYP2A6CA12CA1CA2CA3
SCHEMBL25220014 0.88 LOXL2 (0.54) CYP2A6CA12CA1CA2CA3
SCHEMBL31590838 0.88 LOXL2 (0.54) CYP2A6CA12CA1CA2CA3
SCHEMBL15345795 0.88 CYP2A6 (0.61) CYP2A6CA12CA1CA2CA3
SCHEMBL42223 0.87 CYP2A6 (0.60) CYP2A6CA12CA1CA2CA3
SCHEMBL29484442 0.87 CYP2A6 (0.60) CYP2A6CA12CA1CA2CA3
SCHEMBL5779818 0.86 ABAT (0.56) CYP2A6CA12CA1CA2CA3
SCHEMBL5779922 0.86 PNMT (0.54) CYP2A6CA12CA1CA2CA3
SCHEMBL6233504 0.86 LOXL2 (0.56) CYP2A6CA12CA1CA2CA3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689590-B1 LAYERED TUBE UBE CORP (JP) 2024-08-28 EP disclosed
EP-3683272-B1 POLYAMIDE RESIN COMPOSITION, POLYAMIDE RESIN COMPOSITION FOR ROTATIONAL MOLDING AND ROTATIONAL MOLDED ARTICLE USING SAME UBE CORP (JP) 2023-08-16 EP disclosed
US-11692098-B2 Polyamide resin composition, polyamide resin composition for rotational molding and rotational molded article using same UBE CORPORATION (JP) 2023-07-04 US disclosed
EP-3689591-B1 LAYERED TUBE UBE CORP (JP) 2023-01-25 EP disclosed
US-11529787-B2 Multilayer tubes UBE INDUSTRIES, LTD. (JP) 2022-12-20 US disclosed
US-20220325102-A1 POLYAMIDE RESIN COMPOSITION, POLYAMIDE RESIN COMPOSITION FOR ROTATIONAL MOLDING AND ROTATIONAL MOLDED ARTICLE USING UBE CORPORATION (JP) 2022-10-13 US disclosed
US-11254082-B2 Multi-layer tube UBE INDUSTRIES, LTD. (JP) 2022-02-22 US disclosed
US-20210139699-A1 POLYAMIDE RESIN COMPOSITION, POLYAMIDE RESIN COMPOSITION FOR ROTATIONAL MOLDING AND ROTATIONAL MOLDED ARTICLE USING SAME UBE INDUSTRIES, LTD. (JP) 2021-05-13 US disclosed
EP-3437850-B1 MULTILAYER TUBE UBE INDUSTRIES (JP) 2021-05-12 EP disclosed
US-10933615-B2 Multilayer tubes UBE INDUSTRIES, LTD. (JP) 2021-03-02 US disclosed
EP-3437850-A1 MULTILAYER TUBE UBE Industries, Ltd. (JP) 2019-02-06 EP disclosed
US-20190023898-A1 POLYAMIDE RESIN COMPOSITION UBE INDUSTRIES, LTD. (JP) 2019-01-24 US disclosed
EP-3192650-B1 LAYERED TUBE UBE INDUSTRIES (JP) 2019-01-23 EP disclosed
EP-3412731-A1 POLYAMIDE RESIN COMPOSITION UBE Industries, Ltd. (JP) 2018-12-12 EP disclosed
US-20180057516-A1 REAGENTS USEFUL FOR SYNTHESIZING RHODAMINE-LABELED OLIGONUCLEOTIDES APPLIED BIOSYSTEMS, LLC (US) 2018-03-01 US disclosed
US-9783560-B2 Reagents useful for synthesizing rhodamine-labeled oligonucleotides APPLIED BIOSYSTEMS, LLC (US) 2017-10-10 US disclosed
US-20170261133-A1 MULTILAYER TUBE UBE INDUSTRIES, LTD. (JP) 2017-09-14 US disclosed
EP-3192650-A1 LAYERED TUBE UBE Industries, Ltd. (JP) 2017-07-19 EP disclosed
US-20160214343-A1 MULTI-LAYER TUBE UBE INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
EP-3042758-A1 LAMINATED TUBE UBE Industries, Ltd. (JP) 2016-07-13 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 (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-20180057516-A1 REAGENTS USEFUL FOR SYNTHESIZING RHODAMINE-LABELED OLIGONUCLEOTIDES RTCB, RRM2B, SNRPE CYP2A6 2798/4885CA12 3511/4885CA1 4379/4885

“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.