SCHEMBL17022590

SCHEMBL17022590

O=C(CCCCCCCCCBr)c1c(O)n(C(=O)Nc2ccccc2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.40
▸ HDAC4 P56524 4/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC7 Q8WUI4 4/20 0.38
▸ HDAC11 Q96DB2 4/20 0.38
▸ HDAC8 Q9BY41 4/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC9 Q9UKV0 4/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.38
▸ HDAC3 O15379 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC10 Q969S8 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ NCOR1 O75376 1/20 0.37
▸ NR1I2 O75469 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
SCHEMBL17022496 0.84 PLA2G2A (0.46) PLA2G2AALDH1A1MEN1KMT2A
SCHEMBL17022682 0.83 POLB (0.46) PLA2G2AALDH1A1KDM4E
SCHEMBL17022581 0.81 PLA2G2A (0.48) PLA2G2A
SCHEMBL17022708 0.80 GSK3B (0.45) ALDH1A1MEN1KMT2AEGFR
SCHEMBL17022595 0.80 CNR1 (0.47) PLA2G2AALDH1A1MEN1KMT2AKDM4E
SCHEMBL17022605 0.78 SRC (0.44) PLA2G2AALDH1A1MEN1KMT2A
SCHEMBL17022663 0.78 SRC (0.44) PLA2G2AALDH1A1MEN1KMT2A
SCHEMBL17022478 0.77 EPHX2 (0.44) PLA2G2A
SCHEMBL17022676 0.76 MEN1 (0.43) MEN1KMT2A
SCHEMBL17022575 0.76 MEN1 (0.43) MEN1KMT2A

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
EP-2910547-B1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG UNIV OKAYAMA (JP) 2017-06-14 — — EP disclosed
US-9512075-B2 Compound; tautomer and geometric isomer thereof; salt of said compound, tautomer, or geometric isomer; method for manufacturing said compound, tautomer, isomer, or salt; antimicrobial agent; and anti-infective drug OKAYAMA UNIVERSITY (JP) 2016-12-06 — — US disclosed
US-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-10-15 — — US disclosed
EP-2910547-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG Okayama University (JP) 2015-08-26 — — 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-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG FURIN, ACE, SHARPIN PLA2G2A 4775/4885HDAC4 309/4885HDAC1 985/4885

“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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