SCHEMBL5557906

SCHEMBL5557906

CCc1nc(Cc2ccc(C(=O)N3CCC(O)CC3)cc2)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
GRM5 P41594 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GRM3 Q14832 1/20 0.42
HTR2C P28335 2/20 0.41
ENPP2 Q13822 1/20 0.40
PARP1 P09874 1/20 0.39
EIF4E P06730 1/20 0.39
MGLL Q99685 2/20 0.39
P2RY12 Q9H244 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL5525870 0.84 HSP90AA1 (0.44) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL5556178 0.78 L3MBTL1 (0.39) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL5556177 0.77 PLA2G10 (0.45) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5556176 0.76 PLK1 (0.51) MAPTNPC1RAB9APOLB
SCHEMBL5551869 0.75 SMN1; SMN2 (0.49) KMT2AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL10076236 0.75 GRM5 (0.56) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL5557190 0.75 TRPM8 (0.40) KMT2AMAPTMEN1RAB9A
SCHEMBL5552557 0.75 RAB9A (0.52) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL5557900 0.74 HPGD (0.46) KMT2AMAPTMEN1CYP1A2CYP2C9
SCHEMBL10265233 0.74 SMN1; SMN2 (0.51) MAPTNPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 KMT2A 1024/4885MAPT 2190/4885MEN1 4532/4885

“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.