SCHEMBL10469

SCHEMBL10469

CCCC(=O)N(c1cccnc1)c1ccccc1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ KCNN4 O15554 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ PTGIR P43119 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL17596762 0.83 TP53 (0.47) ALDH1A1HTTL3MBTL1LMNATP53
SCHEMBL18440613 0.74 TRPV1 (0.50) HTTL3MBTL1LMNAKCNN4KCNA5
SCHEMBL2435091 0.73 NOTUM (0.56) HTTL3MBTL1LMNATP53KCNN4
SCHEMBL28674557 0.71 TP53 (0.39) ALDH1A1HTTL3MBTL1LMNATP53
SCHEMBL5458885 0.70 TP53 (0.67) ALDH1A1HTTL3MBTL1TP53MEN1
SCHEMBL28462630 0.69 AKR1C3 (0.46) HTTLMNATP53KCNN4KCNA5
Hydrochloric Acid SCHEMBL5252881 0.69 TP53 (0.65) ALDH1A1HTTL3MBTL1TP53MEN1
SCHEMBL14229682 0.69 TP53 (0.56) ALDH1A1HTTL3MBTL1LMNATP53
SCHEMBL28060972 0.68 HTT (0.50) HTTKCNN4KCNA5NOTUMPTGIR
SCHEMBL7982484 0.68 HTT (0.49) ALDH1A1HTTKCNN4KCNA5NOTUM

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 ALDH1A1 2127/4885HTT 2602/4885ALOX15 398/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A ALDH1A1 3435/4885HTT 3048/4885ALOX15 287/4885

“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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