SCHEMBL5331158

SCHEMBL5331158

O=Cc1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 4/20 0.51
MMP8 P22894 4/20 0.51
HTT P42858 4/20 0.51
MMP13 P45452 3/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
NPBWR1 P48145 7/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
TNKS O95271 3/20 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
SCHEMBL1422649 0.77 BTK (0.44) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL11319685 0.75 MMP2 (0.52) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL22191830 0.74 PARP1 (0.54) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL22191835 0.74 NPC1 (0.53) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL28013683 0.73 MEN1 (0.51) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL15332287 0.72 MAPT (0.47) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL10589328 0.71 SCN2A (0.48) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL15332513 0.71 MAPT (0.46) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL6327841 0.71 NPC1 (0.72) MAPTRAB9ANPC1MMP2MMP9
SCHEMBL31474746 0.71 NPC1 (0.72) MAPTRAB9ANPC1MMP2MMP9

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 13 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-0971747-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 2000-01-19 EP disclosed
WO-1998018496-A2 CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-05-07 WO 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 MAPT 3399/4885RAB9A 3060/4885NPC1 2884/4885
US-20010016587-A1 Contrast agents AGTR1, AGTR2, VIPR1 MAPT 2256/4885RAB9A 3055/4885NPC1 1915/4885
US-20050201930-A1 Contrast agents AGTR1, AGTR2, VIPR1 MAPT 2734/4885RAB9A 3503/4885NPC1 2481/4885

“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.