SCHEMBL834473

SCHEMBL834473

O=C(C1CC1)N(O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20350839 0.90 HTT (0.51) HTTMEN1KMT2ANPSR1CHRM2
SCHEMBL835697 0.90 HTT (0.51) HTTMEN1KMT2ANPSR1CHRM2
SCHEMBL19423435 0.90 HTT (0.51) HTTMEN1KMT2ANPSR1CHRM2
SCHEMBL16112824 0.84 HTT (0.44) HTTMEN1KMT2ANPSR1CHRM3
SCHEMBL12498396 0.81 HTT (0.63) HTTMEN1KMT2ANPSR1AKR1C3
SCHEMBL5111560 0.80 HTT (0.41) HTTMEN1KMT2A
SCHEMBL6429633 0.78 HTT (0.59) HTTMEN1KMT2ANPSR1AKR1C3
SCHEMBL9001880 0.78 HTT (0.59) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1522068 0.78 HTT (0.59) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL27497141 0.75 HTT (0.56) HTTMEN1KMT2ANPSR1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143423-B2 N-heterocyclic carbene (NHC) catalyzed synthesis of hydroxamic acids AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-03-27 US disclosed
US-8143423-B2 N-heterocyclic carbene (NHC) catalyzed synthesis of hydroxamic acids AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-03-27 US disclosed
US-8143423-B2 N-heterocyclic carbene (NHC) catalyzed synthesis of hydroxamic acids AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-03-27 US disclosed
US-20100105921-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 US disclosed
US-20100105921-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 US disclosed
US-20100105921-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 US disclosed
EP-2139829-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS Agency for Science, Technology and Research (SG) 2010-01-06 EP disclosed
WO-2008115153-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 WO disclosed
WO-2008115153-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-09-25 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 (1 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-20100105921-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS NDC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HAO2 HTT 104/4885MEN1 1438/4885KMT2A 607/4885

“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.