SCHEMBL16428129

SCHEMBL16428129

CCc1c(O)cc(=O)[nH]c1-c1cc2ccc(OC)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
MAPT P10636 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE2A O00408 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TNFRSF1A P19438 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
MPO P05164 1/20 0.35
EGFR P00533 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL14745385 0.85 DAO (0.41) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL14746849 0.83 GPR84 (0.39) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL14744996 0.80 MTNR1A (0.41) CA2MTNR1AMTNR1BPDE3BPDE3A
SCHEMBL14745614 0.78 DAO (0.39) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL14746133 0.76 GPR84 (0.39) MEN1KMT2ANPSR1GAA
SCHEMBL14745124 0.76 DAO (0.33) ALDH1A1
SCHEMBL16428436 0.76 CA2 (0.43) CA2MTNR1AMTNR1BMAPTKMT2A
SCHEMBL16568420 0.74 KDM4E (0.43) CA2MAPTMEN1KMT2AALDH1A1
SCHEMBL16567889 0.69 CYP1A2 (0.36) MAPTALDH1A1SMN1; SMN2POLBGAA
SCHEMBL16428798 0.67 MEN1 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US 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 CA2 2523/4885MTNR1A 3963/4885MTNR1B 3733/4885

“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.