SCHEMBL3462071

SCHEMBL3462071

Cc1ccccc1-c1c(C)ccc(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.44
CASP3 P42574 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MAPK1 P28482 1/20 0.44
HBB P68871 1/20 0.44
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
ADORA2A P29274 2/20 0.40
PLA2G7 Q13093 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
SCHEMBL30714451 1.00 CD44 (0.48) CD44MAOAMAOBCYP3A4TDP1
SCHEMBL6932597 0.84 ADORA2A (0.50) CD44MAOACYP3A4TDP1ALDH1A1
SCHEMBL30158993 0.83 ALDH1A1 (0.45) CD44MAOAMAOBCYP3A4TDP1
SCHEMBL31054315 0.81 HEXA (0.47) CD44CYP3A4TDP1ALDH1A1L3MBTL1
SCHEMBL9678804 0.77 CYP3A4 (0.54) CD44MAOACYP3A4TDP1ALDH1A1
SCHEMBL29447448 0.77 POLB (0.52) CD44MAOAMAOBCYP3A4TDP1
SCHEMBL9296990 0.77 POLB (0.52) CD44MAOAMAOBCYP3A4TDP1
SCHEMBL8361077 0.76 CD44 (0.52) CD44MAOAMAOBCYP3A4TDP1
SCHEMBL1133067 0.76 MYC (0.56) CD44CYP3A4TDP1ALDH1A1NPC1
SCHEMBL3794848 0.76 CD44 (0.62) CD44CYP3A4TDP1ALDH1A1L3MBTL1

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
CN-116107124-A Dye-enhanced three-color liquid crystal display device 西京学院 2023-05-12 CN claimed
CN-117396540-A Polyimide resin material for colorless transparent processed product, and novel polyimide 本州化学工业株式会社 2024-01-12 CN disclosed
CN-116107124-A Dye-enhanced three-color liquid crystal display device 西京学院 2023-05-12 CN disclosed
US-20100298559-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-25 US disclosed
EP-2233468-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST Nissan Chemical Industries, Ltd. (JP) 2010-09-29 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-20100298559-A1 OPTICALLY ACTIVE DINICKEL COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE USING THE OPTICALLY ACTIVE DINICKEL COMPLEX AS CATALYST C5, C9, CCNE1 CD44 4530/4885MAOA 493/4885MAOB 180/4885

“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.