SCHEMBL5331858

SCHEMBL5331858

N#CCc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.48
CFTR P13569 1/20 0.47
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX5 P09917 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PGR P06401 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
P2RX4 Q99571 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL5327493 0.86 AR (0.52) ARCFTRMAPTNPC1CYP1A2
SCHEMBL11166790 0.86 ALDH1A1 (0.49) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL5330156 0.85 AR (0.57) ARCFTRMAPTNPC1CYP1A2
SCHEMBL8134460 0.84 AR (0.48) ARCFTRMAPTNPC1CYP1A2
SCHEMBL11096838 0.84 LMNA (0.41) CFTRNPC1CYP1A2CYP2C9RAB9A
SCHEMBL11099111 0.83 AR (0.52) ARCFTRMAPTMEN1KMT2A
SCHEMBL11094829 0.81 MAPT (0.40) ARCFTRMAPTCYP2C9ALDH1A1
SCHEMBL11096714 0.80 ALDH1A1 (0.57) ARMAPTNPC1CYP1A2CYP2C9
SCHEMBL11166001 0.80 ALDH1A1 (0.57) MAPTNPC1CYP1A2CYP2C9RAB9A
SCHEMBL11166536 0.79 PTGDR2 (0.49) ARCFTRRAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7182934-B2 Ultrasonic contrast agents; aqueous suspension GE HEALTHCARE AS (NO) 2007-02-27 US disclosed
EP-0971747-B1 CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2005-12-28 EP disclosed
US-20050201930-A1 Contrast agents GE HEALTHCARE AS (NO) 2005-09-15 US disclosed
US-6921525-B2 Contrast agents AMERSHAM HEALTH AS (NO) 2005-07-26 US disclosed
US-20030228254-A1 Diagnosis of cardiovascular disorders AMERSHAM HEALTH AS (NO) 2003-12-11 US disclosed
US-6524552-B2 Imaging cardiovascular disorders GE HEALTHCARE AS (NO) 2003-02-25 US disclosed
US-20010016587-A1 Contrast agents NYCOMED IMAGING AS 2001-08-23 US disclosed
US-6264914-B1 CONTAINING IMIDAZOLE RING NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
EP-0028834-B1 IMIDAZOLE-5-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-18 EP disclosed
US-4355040-A Hypotensive imidazole-5-acetic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 US disclosed
EP-0028834-A1 Imidazole-5-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 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 (3 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-20030228254-A1 Diagnosis of cardiovascular disorders AGTR1, AGTR2, AGT AR 329/4885CFTR 3683/4885MAPT 3399/4885
US-20010016587-A1 Contrast agents AGTR1, AGTR2, VIPR1 AR 334/4885CFTR 1997/4885MAPT 2256/4885
US-20050201930-A1 Contrast agents AGTR1, AGTR2, VIPR1 AR 287/4885CFTR 2555/4885MAPT 2734/4885

“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.