SCHEMBL6562859

SCHEMBL6562859

COc1ccccc1C(CC(=O)c1ccccc1)C[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
POLB P06746 1/20 0.74
HTT P42858 1/20 0.74
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.46
CNR1 P21554 1/20 0.45
KMT2A Q03164 6/20 0.44
JAK2 O60674 1/20 0.44
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL22831474 1.00 NPSR1 (0.74) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL8045579 0.88 NPSR1 (0.55) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL8045583 0.88 NPSR1 (0.55) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL8049606 0.88 NPSR1 (0.55) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL27165133 0.86 NPSR1 (0.52) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL27165029 0.86 NPSR1 (0.52) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL1661029 0.83 ALDH1A1 (0.54) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL7995177 0.82 L3MBTL1 (0.85) NPSR1L3MBTL1POLBHTTNPC1
SCHEMBL12158737 0.82 L3MBTL1 (0.85) NPSR1L3MBTL1POLBHTTNPC1
SCHEMBL27750825 0.81 MEN1 (0.50) NPSR1L3MBTL1POLBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2022-10-11 US disclosed
US-20200406243-A1 BIFUNCTIONAL CHIRAL ORGANOCATALYTIC COMPOUND HAVING EXCELLENT ENANTIOSELECTIVITY, PREPARATION METHOD THEREFOR, AND METHOD FOR PRODUCING NON-NATURAL GAMMA-AMINO ACID FROM NITRO COMPOUND BY USING SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2020-12-31 US disclosed
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 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-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same NOTUM, ALDH7A1, AADAT NPSR1 1016/4885L3MBTL1 3229/4885POLB 2999/4885
US-20200406243-A1 BIFUNCTIONAL CHIRAL ORGANOCATALYTIC COMPOUND HAVING EXCELLENT ENANTIOSELECTIVITY, PREPARATION METHOD THEREFOR, AND METHOD FOR PRODUCING NON-NATURAL GAMMA-AMINO ACID FROM NITRO COMPOUND BY USING SAME NOTUM, ALDH7A1, AADAT NPSR1 1016/4885L3MBTL1 3229/4885POLB 2999/4885

“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.