SCHEMBL3620745

SCHEMBL3620745

CC(=O)Nc1ccc(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
MAPT P10636 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HTT P42858 2/20 0.55
HCAR3 P49019 10/20 0.54
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH3A1 P30838 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL11707399 0.88 KMT2A (0.62) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL29793669 0.88 KMT2A (0.68) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL2643864 0.88 KMT2A (0.68) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL3613079 0.86 HCAR3 (0.72) KMT2AMAPTNPSR1HCAR3MEN1
SCHEMBL506550 0.84 HCAR3 (0.74) KMT2AMAPTHTTHCAR3ALDH1A1
SCHEMBL571622 0.84 KMT2A (0.64) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL9137225 0.84 KMT2A (0.76) KMT2AMAPTNPSR1HTTHCAR3
Hydrochloric Acid SCHEMBL18813442 0.83 HCAR3 (0.72) KMT2AMAPTHTTHCAR3ALDH1A1
SCHEMBL28435038 0.83 KMT2A (0.60) KMT2AMAPTNPSR1HTTHCAR3
SCHEMBL10102440 0.83 KMT2A (0.60) KMT2AMAPTNPSR1HTTHCAR3

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9468694-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2016-10-18 US disclosed
US-9468694-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2016-10-18 US disclosed
US-9468694-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2016-10-18 US disclosed
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US disclosed
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US disclosed
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US disclosed
CN-102731432-B The fluorination process of anilid derivative and the benzothiazole fluorinated derivatives as in-vivo imaging agent GE HEALTHCARE LTD. (GB) 2015-10-21 CN disclosed
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents GE HEALTHCARE LIMITED (GB) 2010-09-16 US disclosed
CN-101282920-A Method for fluorination of anilide derivatives and benzothiazole fluorinated derivatives as in vivo imaging agents GE HEALTHCARE LTD (GB) 2008-10-08 CN disclosed
EP-1915330-A1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE Healthcare Limited (GB) 2008-04-30 EP disclosed
WO-2007020400-A1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2007-02-22 WO disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 US disclosed
US-4312873-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1982-01-26 US disclosed
US-4191764-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1980-03-04 US disclosed
US-4139626-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1979-02-13 US disclosed
US-4086235-A PESTICIDES, ANTHELMINTICS, ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1978-04-25 US 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-20150328344-A1 Fluorination Process CYP2F1, C1R, C1S KMT2A 1861/4885MAPT 4584/4885NPSR1 992/4885
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents Q6ZSR9, AFF1, F9 KMT2A 1522/4885MAPT 3510/4885NPSR1 1170/4885

“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.