SCHEMBL5330156

SCHEMBL5330156

O=[N+]([O-])c1ccc(-c2nc(Cl)c(CO)n2Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.57
CFTR P13569 1/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
PLA2G2A P14555 1/20 0.42
MITF O75030 1/20 0.42
PGR P06401 1/20 0.42

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 0.89 AR (0.52) ARCFTRKMT2AMEN1KDM4E
SCHEMBL11099111 0.88 AR (0.52) ARCFTRKMT2AMEN1KDM4E
SCHEMBL5331858 0.85 AR (0.48) ARCFTRKMT2AMEN1KDM4E
SCHEMBL11153474 0.85 ALDH1A1 (0.53) KDM4ERAB9AAGTR1AGTR2
SCHEMBL11166536 0.84 PTGDR2 (0.49) ARCFTRKMT2AMEN1KDM4E
SCHEMBL8125624 0.83 AR (0.57) ARCFTRKMT2AMEN1KDM4E
SCHEMBL5330186 0.81 AR (0.51) ARCFTRKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL5333214 0.80 ALDH1A1 (0.45) KMT2AMEN1KDM4ERAB9AAGTR1
SCHEMBL11163236 0.78 ALDH1A1 (0.60) KMT2AMEN1KDM4EHTTNPC1
SCHEMBL11164341 0.78 ALDH1A1 (0.60) KMT2AMEN1KDM4EHTTNPC1

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 3683/4885KMT2A 3420/4885
US-20010016587-A1 Contrast agents AGTR1, AGTR2, VIPR1 AR 334/4885CFTR 1997/4885KMT2A 2601/4885
US-20050201930-A1 Contrast agents AGTR1, AGTR2, VIPR1 AR 287/4885CFTR 2555/4885KMT2A 3782/4885

“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.