SCHEMBL13314716

SCHEMBL13314716

CSc1nc2c(s1)c(=O)c(C(=O)O)cn2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
HCRTR1 O43613 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
HIF1AN Q9NWT6 1/20 0.31

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
SCHEMBL13314711 0.77 LMNA (0.34) MEN1KMT2AABCC4LMNAPKM
SCHEMBL11407347 0.67 MEN1 (0.68) MEN1KMT2AABCC4LMNAPKM
SCHEMBL9835125 0.65 HSD17B10 (0.43) MEN1KMT2ALMNAPKMKDM4E
SCHEMBL11712299 0.64 LMNA (0.40) MEN1KMT2AABCC4LMNAPKM
SCHEMBL9836136 0.64 DAO (0.42) MEN1KMT2ALMNAKDM4EHPGD
SCHEMBL20745535 0.64 HSD17B10 (0.45) MEN1KMT2ALMNAPKMKDM4E
SCHEMBL16166425 0.63 ALDH1A1 (0.43) MEN1KMT2AABCC4LMNAPKM
SCHEMBL16469269 0.63 LMNA (0.49) MEN1KMT2AABCC4LMNAPKM
SCHEMBL7288734 0.63 KMT2A (0.42) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL13798686 0.62 KMT2A (0.37) MEN1KMT2AKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737159-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US disclosed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 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-20070142353-A1 ANTIBACTERIAL COMPOUNDS MRPL21, FDPS, PGLS MEN1 3377/4885KMT2A 4523/4885ABCC4 2638/4885

“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.