SCHEMBL23631634

SCHEMBL23631634

O=C(O)c1coc(Cn2ccc3cc(Br)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ FABP4 P15090 2/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP2 P12104 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ KRAS P01116 5/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL23631592 0.90 FGFR1 (0.42) POLBMCL1HDAC8HDAC6HDAC11
SCHEMBL23631671 0.76 NTSR1 (0.44) NTSR1HTR2AHTR2CPOLBFABP4
SCHEMBL23631630 0.75 NTSR1 (0.43) NTSR1HTR2AHTR2CPOLBFABP4
SCHEMBL23631636 0.75 L3MBTL1 (0.44) NTSR1HTR2AHTR2CPOLBFABP4
SCHEMBL14120940 0.74 HDAC6 (0.57) HDAC8HDAC6HDAC11PPARGHDAC3
SCHEMBL23631696 0.73 NTSR1 (0.44) NTSR1HTR2AHTR2CPOLBFABP4
SCHEMBL418013 0.72 KMT2A (0.60) NTSR1HTR2AHTR2CFABP4FABP3
SCHEMBL14211026 0.71 PLAU (0.56) HDAC8HDAC6HDAC11PPARGHDAC3
SCHEMBL19100386 0.70 KMO (0.56) NTSR1HTR2AHTR2CFABP4FABP3
SCHEMBL29758270 0.70 KMO (0.56) NTSR1HTR2AHTR2CFABP4FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — US claimed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — US disclosed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — 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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections CBS, MPO, QSOX1 NTSR1 2656/4885HTR2A 2888/4885HTR2C 2481/4885

“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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