SCHEMBL5743

SCHEMBL5743

Cc1cc(Br)ccc1CCI

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 4/20 0.45
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL27755414 0.81 PYCR1 (0.46) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL15905723 0.81 PYCR1 (0.46) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL20425681 0.79 TAAR1 (0.52) PYCR1
SCHEMBL4951267 0.79 PYCR1 (0.45) PYCR1ALDH1A1MAPK1CA1CA2
SCHEMBL5820 0.79 PYCR1 (0.45) PYCR1ALDH1A1KDM5AKDM4CKDM5B
SCHEMBL29890016 0.79 TAAR1 (0.52) PYCR1
SCHEMBL1680569 0.78 TYR (0.44) PYCR1MAPK1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL7637186 0.78 TAAR1 (0.50) PYCR1MAPK1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL29507155 0.78 TAAR1 (0.50) PYCR1MAPK1MEN1MAPTKMT2A
SCHEMBL21850056 0.77 IDO1 (0.32) ALDH1A1KDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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 (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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT PYCR1 1015/4885ALDH1A1 2127/4885MAPK1 3155/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A PYCR1 1078/4885ALDH1A1 3435/4885MAPK1 3249/4885

“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.