SCHEMBL2455112

SCHEMBL2455112

CNc1nnc(SCI)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
NPC1 O15118 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 3/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL11641500 0.82 CA1 (0.59) CA1CA2CA4CA5ACA5B
SCHEMBL2453618 0.80 SMN1; SMN2 (0.42) CA1CA2CA4CA5ACA5B
SCHEMBL11717238 0.78 RAB9A (0.55) CA1CA2CA4CA5ACA5B
SCHEMBL7590832 0.76 FBP1 (0.42) CA1CA2CA4CA5ACA5B
SCHEMBL11639843 0.76 MAPT (0.55) CA1CA2CA4CA5ACA5B
SCHEMBL10567617 0.76 ALDH1A1 (0.51) CA1CA2CA4CA5ACA5B
SCHEMBL11622440 0.74 L3MBTL1 (0.62) RAB9ASMN1; SMN2NPC1L3MBTL1POLB
SCHEMBL9334846 0.74
SCHEMBL11718375 0.73 ALDH1A1 (0.61) CA1CA2CA4CA5ACA5B
SCHEMBL11724223 0.73 ALDH1A1 (0.61) CA1CA2CA4CA5ACA5B

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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
WO-2010030810-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030810-A1 CARBACEPHEM BETA-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 (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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M CA1 2392/4885CA2 832/4885CA4 379/4885

“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.