SCHEMBL22372363

SCHEMBL22372363

OCc1ccccc1Oc1cnc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 10/20 0.62
▸ ALDH1A1 P00352 6/20 0.62
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44

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
SCHEMBL31621718 0.80 HTT (0.66) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9180978 0.80 HTT (0.66) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11030583 0.78 HTT (0.77) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8712114 0.78 HTT (0.68) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL22372356 0.77 ALDH1A1 (0.45) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL18796141 0.77 HTT (1.00) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18796180 0.77 HTT (0.66) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18796190 0.77 HTT (0.66) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6827514 0.75 KDM4E (0.51) MEN1KMT2AKDM4E
SCHEMBL22372364 0.74 L3MBTL1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1NPC1

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-20200275656-A1 TRISUBSTITUTEDSILYLMETHYLPHENOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-09-03 — — 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-20200275656-A1 TRISUBSTITUTEDSILYLMETHYLPHENOXYQUINOLINES AND ANALOGUES PIK3C3, DDT, ERG28 HTT 3997/4885ALDH1A1 3077/4885MEN1 2340/4885

“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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