SCHEMBL7088674

SCHEMBL7088674

O=C(C[N+](=O)[O-])c1c(-c2ccccc2)csc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.40
KMT2A Q03164 10/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
PRKCZ Q05513 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 5/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SLC12A2 P55011 1/20 0.34
SLC12A5 Q9H2X9 1/20 0.34
NLRP3 Q96P20 1/20 0.34
HTT P42858 2/20 0.34
ANO1 Q5XXA6 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 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
SCHEMBL7089546 0.77 KMT2A (0.48) MEN1KMT2AALDH1A1LMNAPRKCZ
SCHEMBL280150 0.66 MAPT (0.54) MEN1KMT2AALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL27286730 0.65 MAPT (0.52) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9389757 0.64 ERCC5 (0.56) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL8779987 0.64 ERCC5 (0.61) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL26038436 0.64 PRKCZ (0.63) MEN1KMT2AALDH1A1LMNAPRKCZ
SCHEMBL28801323 0.63 MAP4K4 (0.43) MEN1KMT2AALDH1A1LMNAPRKCZ
SCHEMBL11454701 0.62 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL8158049 0.62 CRHBP (0.46) MEN1KMT2AALDH1A1LMNAPRKCZ
SCHEMBL11365038 0.61 ALDH1A1 (0.60) MEN1KMT2AALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 US disclosed
EP-0983226-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-03-08 EP disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US disclosed
WO-1998052906-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 1998-11-26 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 MEN1 3488/4885KMT2A 3657/4885ALDH1A1 33/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 MEN1 3542/4885KMT2A 1302/4885ALDH1A1 63/4885

“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.