SCHEMBL4531571

SCHEMBL4531571

C[C@@](O)(CNC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NCCN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
HTT P42858 1/20 0.46
PTGES O14684 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MAOB P27338 1/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL404359 0.83 CYP1A2 (0.58) GRM5PTGESCYP1A2TSHRNFKB1
SCHEMBL3639181 0.74 MLYCD (0.58) GRM5HTTNPC1RAB9APOLB
SCHEMBL1928914 0.72 NAAA (0.55) GRM5HTTPTGESNFKB1MEN1
SCHEMBL404593 0.71
SCHEMBL3641758 0.70 NAAA (0.65) GRM5HTTTSHRMEN1KMT2A
SCHEMBL731620 0.69 CYP1A2 (0.67) CYP1A2TSHRNFKB1MAOBPRSS1
SCHEMBL3643020 0.69 ALDH1A1 (0.59) GRM5CYP1A2POLB
SCHEMBL3638357 0.69 GRM5 (0.73) GRM5HTTNPC1RAB9APOLB
SCHEMBL16151544 0.69 NAAA (0.72) HTTTSHRMEN1KMT2ANPC1
SCHEMBL15904373 0.69 MAOB (0.62) CYP1A2TSHRNFKB1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GRM5 4653/4885HTT 4781/4885PTGES 472/4885

“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.