SCHEMBL20043130

SCHEMBL20043130

CC(C)N(N)c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
RAB9A P51151 3/20 0.48
ALOX15 P16050 3/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ALOX5 P09917 1/20 0.46
CASP1 P29466 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 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
SCHEMBL18100113 0.83 LOXL2 (0.43) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL25474647 0.81 RAB9A (0.53) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL10603259 0.80 RAB9A (0.55) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL30442434 0.80 RAB9A (0.55) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL15722690 0.80 NPC1 (0.50) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL10810872 0.79 LOXL2 (0.43) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL16851800 0.79 LOXL2 (0.40) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL16705643 0.79 NPC1 (0.48) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL16705585 0.79 L3MBTL1 (0.52) LOXL2RAB9AALOX15TSHRNPC1
SCHEMBL24449649 0.77 RAB9A (0.46) LOXL2RAB9AALOX15TSHRNPC1

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
US-11370740-B2 Method for producing ester group-containing compound DIC CORPORATION (JP) 2022-06-28 US disclosed
US-10934246-B2 Mixture of polymerizable compound and method of producing the same ZEON CORPORATION (JP) 2021-03-02 US disclosed
US-20200148622-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2020-05-14 US disclosed
US-10577306-B2 Mixture of polymerizable compound and method of producing the same ZEON CORPORATION (JP) 2020-03-03 US disclosed
US-20190152934-A1 METHOD OF PRODUCING POLYMERIZABLE COMPOUND, HALOGENATED COMPOUND, AND MIXTURE ZEON CORPORATION (JP) 2019-05-23 US disclosed
EP-2871192-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORP (JP) 2018-06-20 EP disclosed
US-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2018-04-12 US disclosed
US-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME ZEON CORPORATION (JP) 2018-04-12 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 (6 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-10934246-B2 Mixture of polymerizable compound and method of producing the same DDT, CA4, DNMT3B LOXL2 3285/4885RAB9A 2949/4885ALOX15 2513/4885
US-20180099921-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME DDT, CA4, DNMT3B LOXL2 3285/4885RAB9A 2949/4885ALOX15 2513/4885
US-11370740-B2 Method for producing ester group-containing compound COASY, TAF5, TAF9 LOXL2 3210/4885RAB9A 2782/4885ALOX15 469/4885
US-20190152934-A1 METHOD OF PRODUCING POLYMERIZABLE COMPOUND, HALOGENATED COMPOUND, AND MIXTURE HSD11B2, DHCR7, DHPS LOXL2 2560/4885RAB9A 3361/4885ALOX15 418/4885
US-20200148622-A1 MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME DDT, CA4, DNMT3B LOXL2 3285/4885RAB9A 2949/4885ALOX15 2513/4885
US-10577306-B2 Mixture of polymerizable compound and method of producing the same DDT, CA4, DNMT3B LOXL2 3285/4885RAB9A 2949/4885ALOX15 2513/4885

“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.