SCHEMBL3091997

SCHEMBL3091997

NCCSCc1cnccc1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 3/20 0.42
LOXL2 Q9Y4K0 2/20 0.38
AOC1 P19801 4/20 0.35
AOC3 Q16853 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KIF11 P52732 1/20 0.33
HTR6 P50406 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CHRNA7 P36544 1/20 0.31
MEN1 O00255 1/20 0.30
PRKD3 O94806 1/20 0.30
TP53 P04637 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
SCHEMBL11479407 0.76 CYP2D6 (0.42) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL3074009 0.74 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL9867262 0.70 CYP1A2 (0.60) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL3209168 0.70 SLC22A12 (0.32)
SCHEMBL9865840 0.68 CHRNA7 (0.58) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL10857348 0.66 DAO (0.40) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL3087142 0.66 L3MBTL1 (0.41) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL6241424 0.64 L3MBTL1 (0.44) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL11323936 0.64 L3MBTL1 (0.40) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL7296244 0.62 HRH1 (0.57) CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4

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 12 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-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
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
CN-101835777-A Carbacephem beta-lactam antibiotics ACHAOGEN INC 2010-09-15 CN disclosed
EP-2205600-A1 CARBACEPHEM ß -LACTAM ANTIBIOTICS Achaogen, Inc. (US) 2010-07-14 EP disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO 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
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 CYP2D6 399/4885CYP1A2 129/4885CYP2C19 268/4885

“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.