SCHEMBL6648718

SCHEMBL6648718

O=c1[nH]c(Cl)cc2ccc3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TYMS P04818 4/20 0.49
▸ PAX8 Q06710 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TYMP P19971 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 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
SCHEMBL150458 0.81 KDM4E (0.60) MEN1KMT2AKDM4EGAAPARP1
SCHEMBL29784203 0.81 KDM4E (0.60) MEN1KMT2AKDM4EGAAPARP1
SCHEMBL6646755 0.78 PARP1 (0.49) MEN1KMT2ATYMSPARP1CHEK1
SCHEMBL6645443 0.76 CYP1A2 (0.56) MEN1KMT2ATYMSKDM4EGAA
SCHEMBL29275406 0.73 ALDH1A1 (0.53) MEN1KMT2APAX8KDM4EALDH1A1
SCHEMBL30494604 0.73 ALDH1A1 (0.53) MEN1KMT2APAX8KDM4EALDH1A1
SCHEMBL3472277 0.69 KDM4E (0.55) MEN1KMT2ATYMSKDM4ES100A4
SCHEMBL669508 0.68 PARP1 (0.70) MEN1KMT2ATYMSPAX8KDM4E
SCHEMBL24066459 0.67 CYP2A6 (0.50) PAX8CASP7ALDH1A1HPGDMAPT
SCHEMBL31222429 0.67 CYP2A6 (0.50) PAX8CASP7ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 MEN1 1853/4885KMT2A 1102/4885TYMS 75/4885

“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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