SCHEMBL2115451

SCHEMBL2115451

NC(=O)c1ccc2c(c1)CNC=C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.44
TSHR P16473 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.38
KDM1A O60341 2/20 0.37
LCK P06239 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD17B3 P37058 1/20 0.34
NNMT P40261 1/20 0.33
PRF1 P14222 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
SCHEMBL23304599 0.87 PARP1 (0.44) PARP1TSHRSIRT2KDM1ALCK
Hydrochloric Acid SCHEMBL7007714 0.85 PARP1 (0.47) PARP1TSHRSIRT2KDM1ALCK
Hydrochloric Acid SCHEMBL27437552 0.82 HTR2B (0.47) PARP1
SCHEMBL30924719 0.81 HDAC6 (0.42) PARP1KDM4E
SCHEMBL2731823 0.81 HDAC6 (0.42) PARP1KDM4E
SCHEMBL17540015 0.80 CA1 (0.44) PARP1KDM4EALDH1A1HSD17B10
SCHEMBL5239085 0.75 PARP1 (0.50) PARP1TSHRSIRT2KDM1AKDM4E
SCHEMBL11142660 0.73 PARP1 (0.52) PARP1KDM4EALDH1A1HSD17B10
SCHEMBL17476748 0.72 LCK (0.40) PARP1TSHRLCKKDM4EALDH1A1
SCHEMBL30370430 0.71 NNMT (0.48) KDM4ENNMT

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-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-20230061429-A1 BICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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 (3 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 PARP1 360/4885TSHR 3100/4885SIRT2 1069/4885
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 PARP1 383/4885TSHR 972/4885SIRT2 81/4885
US-20230061429-A1 BICYCLIC COMPOUNDS YAP1, MYC, TEAD2 PARP1 360/4885TSHR 3100/4885SIRT2 1069/4885

“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.