SCHEMBL5674

SCHEMBL5674

Brc1ccc(CCI)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
PLAU P00749 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
TSHR P16473 1/20 0.32
GLS O94925 1/20 0.32
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22703601 0.82
SCHEMBL21552702 0.80 GBA1 (0.44) GBA1GRM2ALDH1A1KDM4EADRA2A
SCHEMBL5650 0.78 GBA1 (0.42) GBA1GRM2ALDH1A1KDM4EADRA2A
SCHEMBL31729646 0.78 GBA1 (0.52) GBA1GRM2ALDH1A1KDM4EADRA2A
SCHEMBL7433897 0.78 GBA1 (0.42) GBA1GRM2ALDH1A1KDM4EADRA2A
SCHEMBL3231706 0.78 GBA1 (0.52) GBA1GRM2ALDH1A1KDM4EADRA2A
SCHEMBL20802798 0.78 GBA1 (0.42) GBA1GRM2ALDH1A1KDM4EADRA2A
SCHEMBL165821 0.78 HRH1 (0.47) GBA1GRM2ALDH1A1KDM4EADRA2A
SCHEMBL7551937 0.77
Hydrochloric Acid SCHEMBL2713143 0.77 HRH1 (0.45) GBA1GRM2ALDH1A1KDM4EADRA2A

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 GBA1 491/4885GRM2 3911/4885ALDH1A1 2127/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A GBA1 1065/4885GRM2 4486/4885ALDH1A1 3435/4885

“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.