SCHEMBL5095344

SCHEMBL5095344

CSc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SRD5A2 P31213 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CASR P41180 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NR2F2 P24468 1/20 0.40

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
SCHEMBL7896132 0.91 NPC1 (0.51) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL3889343 0.86 TP53 (0.53) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL16952221 0.84 HSP90AA1 (0.46) TP53SMN1; SMN2CYP3A4MEN1KMT2A
Methyl Alcohol SCHEMBL27399292 0.81 CYP3A4 (0.61) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL29944162 0.81 CYP3A4 (0.65) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL132541 0.81 CYP3A4 (0.65) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL232779 0.81 TP53 (0.64) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL12410570 0.81 TSHR (0.50) TDP1SMN1; SMN2CYP3A4MEN1KMT2A
SCHEMBL15054482 0.80 MAPT (0.62) TP53TDP1SMN1; SMN2CYP3A4MEN1
Acetone SCHEMBL28637824 0.80 TP53 (0.58) TP53TDP1SMN1; SMN2CYP3A4MEN1

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-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 — — US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 — — US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 — — US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 — — US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 — — US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 — — US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 — — US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 — — US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 — — EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 — — US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 — — US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 — — EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 — — WO 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 TP53 4140/4885TDP1 4234/4885SMN1; SMN2 2047/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 TP53 4749/4885TDP1 2401/4885SMN1; SMN2 866/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 TP53 4658/4885TDP1 2436/4885SMN1; SMN2 825/4885

“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.

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