SCHEMBL11898604

SCHEMBL11898604

CCCC(=O)Nc1ccc(-c2cnc3cc[nH]c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
PIK3C3 Q8NEB9 1/20 0.52
GSK3B P49841 9/20 0.47
GSK3A P49840 3/20 0.47
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL6090 0.78 TP53 (0.60) TP53GSK3BGSK3AKDM4ENPC1
SCHEMBL13210534 0.78 TP53 (0.73) TP53GSK3BGSK3AKDM4ENPC1
SCHEMBL2535693 0.71 EPHX1 (0.61) TP53KDM4ENPC1ALDH1A1HPGD
SCHEMBL11898602 0.71 PIK3C3 (0.46) PIK3C3
SCHEMBL23908580 0.71 SENP7 (0.62) TP53CASP3SENP8SENP7SENP6
SCHEMBL11898603 0.71 PIK3C3 (0.46) PIK3C3
SCHEMBL11186008 0.70 TP53 (0.80) TP53GSK3BGSK3AKDM4ENPC1
SCHEMBL17405142 0.70 TP53 (0.86) TP53CASP3SENP8SENP7SENP6
SCHEMBL23908523 0.70 SENP7 (0.63) TP53CASP3SENP8SENP7SENP6
Hydrochloric Acid SCHEMBL11188880 0.69 TP53 (0.77) TP53GSK3BGSK3AKDM4ENPC1

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 3 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
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US 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 TP53 4548/4885PIK3C3 3252/4885GSK3B 2828/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A TP53 4457/4885PIK3C3 2372/4885GSK3B 2116/4885

“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.