SCHEMBL707380

SCHEMBL707380

CCC(Oc1ccc(OC)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL706485 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL10788442 0.84 TTR (0.49) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL12812698 0.83 PPARG (0.50) SMN1; SMN2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL7447401 0.83 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL8383429 0.82 TTR (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL709158 0.82 POLB (0.50) SMN1; SMN2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL6975821 0.82 MAPT (0.52) SMN1; SMN2AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5910980 0.81 ALDH3A1 (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL5910982 0.81 ALDH3A1 (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL7508888 0.81 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 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 (1 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK SMN1; SMN2 4251/4885AKR1C3 3541/4885AKR1C2 3893/4885

“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.