SCHEMBL16428846

SCHEMBL16428846

CCc1ccc(=O)[nH]c1-c1cnc2c(c1)ncn2C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 14/20 0.43
GRM5 P41594 2/20 0.37
SYK P43405 2/20 0.37
CTSC P53634 1/20 0.33

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
SCHEMBL16428507 0.82 HCAR1 (0.43) HCAR1GRM5SYK
SCHEMBL16428712 0.81 APP (0.42) HCAR1
SCHEMBL14740935 0.77 GRM5 (0.37) GRM5SYKCTSC
Hydrochloric Acid SCHEMBL17597650 0.76 GRM5 (0.37) GRM5SYKCTSC
SCHEMBL12524654 0.66 GRM5 (0.46) GRM5SYK
SCHEMBL15729001 0.66 KDM4E (0.47) HCAR1
SCHEMBL18853870 0.63 HCAR1 (0.58) HCAR1
SCHEMBL14757625 0.63 NPC1 (0.38) HCAR1GRM5SYK
SCHEMBL16428741 0.62 HTR1D (0.40)
SCHEMBL17597123 0.62 TGFBR1 (0.47)

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP HCAR1 2987/4885GRM5 3506/4885SYK 4046/4885

“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.