SCHEMBL13095210

SCHEMBL13095210

NCc1ncccc1SSc1cccnc1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ADRB2 P07550 1/20 0.36
MAPT P10636 4/20 0.34
APOBEC3G Q9HC16 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH1 P35367 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
DPP4 P27487 1/20 0.33
HPGD P15428 3/20 0.32
KDM4E B2RXH2 5/20 0.32
HSD17B10 Q99714 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
PRMT5 O14744 1/20 0.30

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
SCHEMBL13095176 0.83 HRH1 (0.44) ALDH1A1L3MBTL1ADRB2MAPTAPOBEC3G
SCHEMBL13940968 0.83 L3MBTL1 (0.42) ALDH1A1L3MBTL1ADRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL6959840 0.82 L3MBTL1 (0.41) ALDH1A1L3MBTL1ADRB2MEN1KMT2A
SCHEMBL24056365 0.80 AOC3 (0.42) ALDH1A1L3MBTL1ADRB2MAPTAPOBEC3G
Hydrochloric Acid SCHEMBL7365114 0.79 AOC3 (0.44) ALDH1A1L3MBTL1ADRB2MAPTAPOBEC3G
SCHEMBL14008798 0.79 ADRA2A (0.34) ALDH1A1L3MBTL1ADRB2NOS3NOS1
SCHEMBL3081194 0.79 AOC3 (0.43) ALDH1A1L3MBTL1ADRB2KDM4EHSD17B10
SCHEMBL30023602 0.79 ADRA2A (0.34) ALDH1A1L3MBTL1ADRB2NOS3NOS1
SCHEMBL3082743 0.77 HRH1 (0.46) HRH1
Hydrochloric Acid SCHEMBL4612343 0.77 ADRA2A (0.36) ALDH1A1L3MBTL1ADRB2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 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 (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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M ALDH1A1 2468/4885L3MBTL1 304/4885ADRB2 123/4885

“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.