SCHEMBL22650229

SCHEMBL22650229

C=c1ccccc(=C)cncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2A6 P11509 2/20 0.36
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.35
IDO1 P14902 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACHE P22303 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
IKBKB O14920 1/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
PIM1 P11309 1/20 0.35
TOP1 P11387 1/20 0.35
GABRA1 P14867 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21440403 0.72 ALOX12 (0.39) ALDH1A1CYP3A4CYP2A6KDM4ESMN1; SMN2
SCHEMBL19413699 0.71 MAPT (0.30) MAPT
SCHEMBL26457107 0.71 TSHR (0.38) CYP1A2CYP3A4GABRA1HPGDGABRB1
SCHEMBL24702544 0.69 EGFR (0.40) CYP1A2CYP3A4KDM4ECYP2D6
SCHEMBL19413554 0.67 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL19413665 0.65
SCHEMBL20273120 0.64 GABRA1 (0.34) CYP1A2CYP3A4GABRA1HPGDGABRB1
SCHEMBL18868634 0.63 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL20113014 0.63
SCHEMBL18430843 0.61 CYP2A6 (0.38) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT FUJIFILM CORPORATION (JP) 2020-11-12 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 (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-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT CYP1B1, CYP1A1, NAT1 MAOA 178/4885MAOB 144/4885ALDH1A1 44/4885

“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.