SCHEMBL6510705

SCHEMBL6510705

CN1CCNC(=O)c2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.51
PARP10 Q53GL7 3/20 0.51
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
HTR2C P28335 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
OPRK1 P41145 2/20 0.45
NR1I2 O75469 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADRA1A P35348 1/20 0.45
PTGS2 P35354 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 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
SCHEMBL21333606 0.83 PARP10 (0.53) PARP1PARP10ALDH1A1KMT2APARP11
SCHEMBL2060799 0.81 NR1H2 (0.41) PARP1PARP10KDM4EALDH1A1KMT2A
SCHEMBL16349626 0.77 PARP1 (0.46) PARP1PARP10HTR2CHTR2AHTR2B
SCHEMBL2060905 0.77 CASP3 (0.50) OPRK1LMNAALDH1A1KMT2AGAA
SCHEMBL69760 0.76 OPRK1 (0.48) HTR2COPRK1NR1I2ADORA3ADRA1A
Hydrochloric Acid SCHEMBL30123734 0.76 PARP1 (0.44) PARP1PARP10HTR2CHTR2AHTR2B
SCHEMBL23160030 0.75 PARP10 (0.51) PARP1PARP10ALDH1A1KMT2AGAA
SCHEMBL30914657 0.75 PARP10 (0.51) PARP1PARP10ALDH1A1KMT2AGAA
SCHEMBL607738 0.75 LMNA (0.51) PARP1PARP10F7F3HTR2C
SCHEMBL30285468 0.74 PRMT5 (0.51)

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-12496297-B1 Compositions of autophagy modulating agents and uses thereof WASHINGTON UNIVERSITY (US) 2025-12-16 US disclosed
US-20050203898-A1 System and method for the indexing of organic chemical structures mined from text documents INTERNATIONAL BUSINESS MACHINES CORPORATION 2005-09-15 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-12496297-B1 Compositions of autophagy modulating agents and uses thereof BECN1, TFEB, ATG7 PARP1 1082/4885PARP10 1857/4885F7 4787/4885

“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.