SCHEMBL2022697

SCHEMBL2022697

C#Cc1ccc(Br)cc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 7/20 0.43
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.34
CYP2A6 P11509 2/20 0.34
AHR P35869 2/20 0.34
NR4A2 P43354 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13344155 0.78 PYCR1 (0.35) PYCR1
SCHEMBL5158400 0.77 SIGMAR1 (0.36) PYCR1ALDH1A1MAPK1SIGMAR1NPSR1
SCHEMBL290236 0.77 TSHR (0.48) PYCR1
SCHEMBL7932663 0.77 MAPT (0.33) ALDH1A1MAPT
SCHEMBL29661807 0.76 HSP90AA1 (0.46) PYCR1ALDH1A1MAPK1CYP2A6AHR
SCHEMBL30150790 0.76 TDP1 (0.42) PYCR1ALDH1A1CYP2A6NPSR1RAPGEF4
SCHEMBL4746042 0.76 HSP90AA1 (0.46) PYCR1ALDH1A1MAPK1CYP2A6AHR
SCHEMBL935347 0.76 TDP1 (0.42) PYCR1ALDH1A1CYP2A6NPSR1RAPGEF4
SCHEMBL16533986 0.76 PYCR1 (0.35) PYCR1ALDH1A1MAPK1SIGMAR1NPSR1
SCHEMBL3841101 0.74 HDAC8 (0.34) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180123-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-11-10 US disclosed
US-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2015-07-02 US disclosed
US-9018384-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-04-28 US disclosed
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-11-20 US disclosed
EP-2512474-B1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2014-11-05 EP disclosed
US-8846933-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-09-30 US disclosed
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER (US) 2014-05-08 US disclosed
US-8664401-B2 N-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-03-04 US disclosed
EP-2512474-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-10-24 EP disclosed
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. 2012-10-11 US disclosed
WO-2011073845-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-06-23 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 (4 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-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT PYCR1 1391/4885ALDH1A1 3989/4885MAPK1 2617/4885
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, LCT, HAX1 PYCR1 1849/4885ALDH1A1 2520/4885MAPK1 3357/4885
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT PYCR1 1391/4885ALDH1A1 3989/4885MAPK1 2617/4885
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT PYCR1 1391/4885ALDH1A1 3989/4885MAPK1 2617/4885

“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.