SCHEMBL5331416

SCHEMBL5331416

CC(C)(C(=O)CBr)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ PTPN1 P18031 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ DRD2 P14416 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DRD3 P35462 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
SCHEMBL10999607 0.83 HDAC3 (0.52) MAPTKMT2ACYP2C19HIF1APTPN1
SCHEMBL27184039 0.82 GSK3B (0.45) MAPTKMT2APTPN1GSK3BHDAC3
SCHEMBL270134 0.81 MAPT (0.57) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL28602564 0.81 MAPT (0.57) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL4447460 0.81 KMT2A (0.57) MAPTKMT2ACYP2C19HIF1AGSK3B
SCHEMBL6469767 0.80 CYP2C19 (0.46) MAPTKMT2ACYP2C19HIF1APTPN1
SCHEMBL5331421 0.80 PTPN1 (0.47) MAPTKMT2APTPN1GSK3BKCNN4
SCHEMBL1770074 0.80 GSK3B (0.47) MAPTKMT2ACYP2C19HIF1AGSK3B
SCHEMBL6610803 0.79 MAPT (0.55) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL25848127 0.79 MAPT (0.61) MAPTKMT2ACYP2C19HIF1AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 — — US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 — — US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 — — US disclosed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 — — US disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 — — WO disclosed
EP-0150499-A2 Substituted 3-azolyl butane derivatives, process for their preparation and agricultural and horticultural fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-08-07 — — 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 (2 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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 MAPT 4773/4885KMT2A 3610/4885CYP2C19 335/4885
US-20070299113-A1 Metabotropic glutamate receptor modulators GRM1, GRM2, GRM3 MAPT 794/4885KMT2A 1294/4885CYP2C19 3706/4885

“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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