SCHEMBL7576321

SCHEMBL7576321

O=C(C(=Cc1ccc(F)c(Br)c1)C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.50
▸ TDO2 P48775 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAOB P27338 5/20 0.43
▸ MAOA P21397 4/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ VCP P55072 1/20 0.41
▸ PLA2G7 Q13093 1/20 0.40
▸ EGFR P00533 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
Dibenzoylmethane SCHEMBL7100268 0.92 IDO1 (0.47) IDO1TDO2CYP1A2CYP3A4CYP2C9
SCHEMBL4784600 0.77 IDO1 (0.57) IDO1TDO2CYP1A2CYP2C19RAB9A
SCHEMBL10664130 0.74 KMT2A (0.57) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL24181250 0.72 VCP (0.46) IDO1TDO2MAOBMAOANPC1
SCHEMBL7913686 0.71 KMT2A (0.54) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL7752908 0.70 HPGD (0.58) IDO1TDO2CYP1A2CYP2C19ALDH1A1
SCHEMBL2394174 0.70 DPEP1 (0.49) MAOBMAOANPC1RAB9ATDP1
SCHEMBL1907796 0.70 DPEP1 (0.49) MAOBMAOANPC1RAB9ATDP1
SCHEMBL7583346 0.70 NPC1 (0.40) ALDH1A1KMT2AMAPTMAOBMAOA
SCHEMBL7583350 0.70 NPC1 (0.40) ALDH1A1KMT2AMAPTMAOBMAOA

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-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 — — 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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 IDO1 3818/4885TDO2 3356/4885CYP1A2 1843/4885

“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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