SCHEMBL2952856

SCHEMBL2952856

O=[N+]([O-])c1cccc(Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
PKLR P30613 1/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
SSTR4 P31391 1/20 0.55
SSTR3 P32745 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 3/20 0.53
CYP3A4 P08684 1/20 0.53
AHR P35869 1/20 0.53
GPR84 Q9NQS5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR6 P50406 1/20 0.50
BCL2 P10415 1/20 0.50
TP53 P04637 1/20 0.50
CDK2 P24941 2/20 0.49
CYP19A1 P11511 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL27922521 0.85 KDM4E (0.67) PKMPKLRMEN1KMT2AALDH1A1
SCHEMBL30030626 0.83 PKM (0.84) PKMPKLRMEN1KMT2AALDH1A1
SCHEMBL7855977 0.79 MEN1 (0.70) PKMPKLRMEN1KMT2AALDH1A1
SCHEMBL7674750 0.77 POLB (0.59) PKMPKLRMEN1KMT2AALDH1A1
SCHEMBL4215800 0.76 BCL2 (0.59) SSTR4SSTR3ALDH1A1MAPTBCL2
SCHEMBL30648199 0.76 MEN1 (1.00) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL553605 0.76 MEN1 (1.00) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21399633 0.76 GPR84 (0.68) MEN1KMT2ASSTR4SSTR3MAPT
SCHEMBL21399641 0.76 MEN1 (0.68) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21399587 0.76 MEN1 (0.68) MEN1KMT2ASSTR4SSTR3MAPT

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-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
WO-2006034390-A2 INHIBITORS OF 15-LIPOXYGENASE BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
US-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US disclosed
EP-1135124-B1 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUDED INDOLEALKANOIC ACIDS INST FOR PHARM DISCOVERY INC (US) 2004-04-28 EP disclosed
CN-1030701-C Indole derivatives and process for production thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-17 CN disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
CN-1056685-A Indole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 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 (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-20060063823-A1 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer PTGIS, MMP15, IL15 PKM 3976/4885PKLR 329/4885MEN1 4072/4885

“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.