SCHEMBL16690901

SCHEMBL16690901

CC(=O)c1cn(Cc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.54
▸ KDM4C Q9H3R0 2/20 0.51
▸ KDM5A P29375 1/20 0.51
▸ KDM5B Q9UGL1 1/20 0.51
▸ KLKB1 P03952 2/20 0.50
▸ CYP2E1 P05181 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2B6 P20813 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ RIPK1 Q13546 2/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ HPGDS O60760 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3688462 0.87 KDM4C (0.57) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL754518 0.84 KDM5A (0.52) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL24310642 0.84 KDM4C (0.52) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL15964744 0.84 RBP4 (0.54) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL18377475 0.83 KLKB1 (0.56) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL18367381 0.83 CDK5 (0.53) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL16689551 0.83 RBP4 (0.51) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL24310337 0.82 KDM4C (0.50) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL9248509 0.81 LMNA (0.60) RBP4KDM4CKDM5AKDM5BKLKB1
SCHEMBL20344493 0.80 RBP4 (0.51) RBP4KDM4CKDM5AKDM5BKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 — — US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 — — US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 — — US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 — — US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 — — US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 — — US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 — — US disclosed
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 — — US disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 — — US disclosed
US-9156858-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 — — 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 (5 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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT RBP4 1/4885KDM4C 4841/4885KDM5A 4789/4885
US-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 RBP4 3761/4885KDM4C 4736/4885KDM5A 4787/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 RBP4 3761/4885KDM4C 4736/4885KDM5A 4787/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT RBP4 1/4885KDM4C 4841/4885KDM5A 4789/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 RBP4 3761/4885KDM4C 4736/4885KDM5A 4787/4885

“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.

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