SCHEMBL7230472

SCHEMBL7230472

O=C1c2cc([N+](=O)[O-])ccc2CN1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPRC P08575 3/20 0.44
S100A4 P26447 2/20 0.44
ACHE P22303 3/20 0.42
HSP90AA1 P07900 1/20 0.42
CRBN Q96SW2 2/20 0.40
DDB1 Q16531 1/20 0.40
BCHE P06276 1/20 0.40
CES1 P23141 1/20 0.40
PARP1 P09874 1/20 0.40
HTT P42858 1/20 0.40
ESR2 Q92731 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL31252799 1.00 SIRT2 (0.47) SIRT2ALDH1A1POLBNPC1MAPT
SCHEMBL25673269 0.85 ACHE (0.40) SIRT2ALDH1A1POLBNPC1MAPT
SCHEMBL30533999 0.85 ACHE (0.38) SIRT2ALDH1A1POLBNPC1MAPT
SCHEMBL25268665 0.85 ACHE (0.38) SIRT2ALDH1A1POLBNPC1MAPT
SCHEMBL7510530 0.83 SIRT2 (0.44) SIRT2ALDH1A1POLBNPC1MAPT
SCHEMBL1163372 0.82 TDP2 (0.44) ALDH1A1MAPTRAB9APTPRCS100A4
SCHEMBL7510763 0.82 ACHE (0.43) SIRT2ALDH1A1SMN1; SMN2PTPRCS100A4
SCHEMBL25219999 0.80 ALDH1A1 (0.38) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16166465 0.80 SIRT2 (0.44) SIRT2ALDH1A1POLBNPC1MAPT
SCHEMBL7228704 0.79 POLB (0.48) POLBMAPTACHECASP1CASP4

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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
US-6583144-B2 Piperazine substituted isoquinoline, 1,3-benzoxazine, or 1,3-benzothiazine derivatives; inhibitors against the biosynthesis of triglycerides and secretion of apolipoprotein b and treatment of hyperlipidemia MEIJI SEIKA KAISHA, LTD. (JP) 2003-06-24 US disclosed
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same OHKURA NAOTO (JP) 2002-10-24 US disclosed
US-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed
EP-0999208-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND HYPERLIPEMIA REMEDY CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-05-10 EP 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 SIRT2 560/4885ALDH1A1 4330/4885POLB 345/4885
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same APOB, PNLIP, NR1H2 SIRT2 995/4885ALDH1A1 3399/4885POLB 2764/4885

“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.