SCHEMBL5327448

SCHEMBL5327448

O=C(O)Cc1cnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.50
CFTR P13569 1/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PLA2G2A P14555 1/20 0.43
KMT2A Q03164 3/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
AHR P35869 1/20 0.43
RAB9A P51151 1/20 0.43
CASP6 P55212 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TBXA2R P21731 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL11102018 0.95 PTGDR2 (0.53) ARPTGDR2CFTRKDM4EALDH1A1
SCHEMBL11092968 0.86 HPGDS (0.49) PTGDR2KDM4EALDH1A1HTTPOLB
Water SCHEMBL11097766 0.85 HPGDS (0.48) PTGDR2KDM4EALDH1A1KMT2AHTT
SCHEMBL11094841 0.84 AR (0.50) ARPTGDR2KDM4EALDH1A1KMT2A
SCHEMBL11099111 0.78 AR (0.52) ARPTGDR2CFTRKDM4EALDH1A1
SCHEMBL2789865 0.74 CYP2C19 (0.58) PTGDR2KDM4EKMT2AHTTMEN1
SCHEMBL11166536 0.74 PTGDR2 (0.49) ARPTGDR2CFTRKDM4EALDH1A1
SCHEMBL11094843 0.74 PTGDR2 (0.52) ARPTGDR2CFTRKDM4EALDH1A1
SCHEMBL11099706 0.73 AR (0.47) ARALDH1A1PLA2G2AKMT2AMAPT
SCHEMBL2733465 0.71 POLB (0.60) KDM4EALDH1A1KMT2AHTTPOLB

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 8 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

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 329/4885PTGDR2 425/4885CFTR 3683/4885
US-20010016587-A1 Contrast agents AGTR1, AGTR2, VIPR1 AR 334/4885PTGDR2 187/4885CFTR 1997/4885
US-20050201930-A1 Contrast agents AGTR1, AGTR2, VIPR1 AR 287/4885PTGDR2 500/4885CFTR 2555/4885

“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.