SCHEMBL6852601

SCHEMBL6852601

[CH2]Cc1ccc(-c2nccs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.67
▸ ADRB2 P07550 3/20 0.61
▸ PDPK1 O15530 1/20 0.59
▸ CYP2A6 P11509 1/20 0.47
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CARM1 Q86X55 1/20 0.39

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
SCHEMBL722198 0.85 PDPK1 (0.77) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL5967788 0.83 PDPK1 (0.63) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL21791658 0.83 LOXL2 (0.71) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL534382 0.80 LOXL2 (1.00) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL533558 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL28842595 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL1439923 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL533419 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6HDAC2
SCHEMBL8240124 0.80 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6ABL1
Hydrochloric Acid SCHEMBL533729 0.78 LOXL2 (0.96) LOXL2ADRB2PDPK1CYP2A6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 — — US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 — — EP disclosed
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 — — US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 — — WO 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-20040106607-A1 New compounds MTX1, MLX, TPX2 LOXL2 3388/4885ADRB2 402/4885PDPK1 2392/4885

“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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