SCHEMBL29427705

SCHEMBL29427705

c1ccc2c(c1)Cc1ccc3c(c1=N2)=Nc1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
TRPA1 O75762 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SRD5A2 P31213 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 2/20 0.34
BCHE P06276 1/20 0.34
HRH1 P35367 2/20 0.33

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
SCHEMBL191346 0.82 IDO1 (0.40) HRH4ALDH1A1LMNAKDM4EMAPT
SCHEMBL29349590 0.82 IDO1 (0.40) HRH4ALDH1A1LMNAKDM4EMAPT
SCHEMBL21541520 0.71 IDO1 (0.36) ALDH1A1LMNAKDM4EMAPTRAB9A
SCHEMBL13961627 0.70 HRH4 (0.46) HRH4TRPA1ALDH1A1LMNAKDM4E
SCHEMBL8207110 0.69 HRH4 (0.50) HRH4TRPA1ALDH1A1LMNAKDM4E
SCHEMBL85967 0.69 HRH4 (0.54) HRH4TRPA1ALDH1A1LMNAKDM4E
SCHEMBL1772613 0.69 HRH4 (0.50) HRH4TRPA1ALDH1A1LMNAKDM4E
SCHEMBL2720506 0.67 ALDH1A1 (0.70) ALDH1A1LMNAKDM4ENPC1MAPT
SCHEMBL11780213 0.67 NOS3 (0.43) HRH4TRPA1ALDH1A1LMNANPC1
SCHEMBL23298998 0.67 RAB9A (0.45) HRH4TRPA1ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12157837-B2 Adhesive composition, method for producing surface-treated metal member, and method for producing metal-resin composite body MEC COMPANY LTD. (JP) 2024-12-03 US disclosed
EP-4039774-B1 ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-09-20 EP disclosed
EP-4039774-A1 ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2022-08-10 EP disclosed
US-20220190257-A1 FUNCTIONAL FILM, METHOD FOR FORMING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2022-06-16 US disclosed
US-20220073793-A1 ADHESIVE COMPOSITION, METHOD FOR PRODUCING SURFACE-TREATED METAL MEMBER, AND METHOD FOR PRODUCING METAL-RESIN COMPOSITE BODY MEC COMPANY LTD. (JP) 2022-03-10 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-20220190257-A1 FUNCTIONAL FILM, METHOD FOR FORMING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT KCNQ2, KCNQ1, KCNQ4 HRH4 1781/4885TRPA1 88/4885ALDH1A1 3664/4885

“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.