SCHEMBL2455167

SCHEMBL2455167

CCc1ccccc1C(ON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
GAA P10253 5/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL3359208 0.89 GAA (0.36) MAPTGAALMNAKMT2AMEN1
SCHEMBL2450267 0.88 MAPT (0.45) MAPTGAALMNAKMT2AMEN1
SCHEMBL7764698 0.88 MAPT (0.45) MAPTGAALMNAKMT2AMEN1
SCHEMBL2450269 0.88 MAPT (0.45) MAPTGAALMNAKMT2AMEN1
SCHEMBL9231227 0.87 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL9804837 0.87 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL9231233 0.87 MAPT (0.44) MAPTGAALMNAKMT2AMEN1
SCHEMBL8903563 0.87 MAPT (0.41) MAPTGAALMNAKMT2AMEN1
SCHEMBL8903558 0.87 MAPT (0.41) MAPTGAALMNAKMT2AMEN1
SCHEMBL8903554 0.87 MAPT (0.41) MAPTGAALMNAKMT2AMEN1

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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
WO-2010123997-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-28 WO disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
WO-2010030810-A1 CARBACEPHEM BETA-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M MAPT 3937/4885GAA 2536/4885LMNA 3775/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M MAPT 3888/4885GAA 2452/4885LMNA 4295/4885

“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.