SCHEMBL14745903

SCHEMBL14745903

C=Cc1cc2c(ccn2C)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.51
PRKCI P41743 1/20 0.40
PIK3CB P42338 1/20 0.37
ALDH1A1 P00352 3/20 0.34
IMPDH2 P12268 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 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
SCHEMBL17494966 0.78 CYP2A6 (0.53) CYP2A6PRKCIPIK3CBALDH1A1IMPDH2
SCHEMBL18912153 0.78 CYP2A6 (0.41) CYP2A6PRKCIPIK3CBHSD11B1PKM
SCHEMBL14745317 0.78 CYP2A6 (0.53) CYP2A6PRKCIPIK3CBALDH1A1IMPDH2
SCHEMBL18697197 0.78 CYP2A6 (0.53) CYP2A6PRKCIPIK3CBALDH1A1IMPDH2
SCHEMBL18683804 0.71 PRKCI (0.60) CYP2A6PRKCIPIK3CBALDH1A1KDM4E
SCHEMBL14745397 0.70 CYP2A6 (0.37) CYP2A6ALDH1A1KDM4EMAPT
SCHEMBL26569894 0.69 PRKCI (0.58) CYP2A6PRKCIPIK3CBALDH1A1KDM4E
SCHEMBL22672777 0.69 TDP1 (0.38) ALDH1A1KDM4E
SCHEMBL26704208 0.69 TDP1 (0.38) ALDH1A1KDM4E
SCHEMBL1125855 0.68 CYP2A6 (1.00) CYP2A6PRKCIPIK3CBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2750678-B1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC (US) 2017-03-22 EP disclosed
US-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. 2015-02-05 US disclosed
CN-104039323-A Antibacterial compounds and methods of use PTC THERAPEUTICS INC 2014-09-10 CN disclosed
EP-2750678-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033228-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO 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-20150038438-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP CYP2A6 3494/4885PRKCI 2654/4885PIK3CB 1694/4885

“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.