SCHEMBL17346288

SCHEMBL17346288

CN(CCN(CCSCc1ccccc1)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
PRMT8 Q9NR22 1/20 0.49
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CALM1 P0DP23 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
MAOB P27338 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAOA P21397 2/20 0.40
USP2 O75604 1/20 0.40
PYCR1 P32322 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL17346300 0.89 CYP2C19 (0.46) ALDH1A1CALM1CAMKK2TSHRLMNA
SCHEMBL17346347 0.83 HTT (0.47) SIGMAR1ALDH1A1KDM4ECALM1CAMKK2
SCHEMBL17346348 0.82 BCHE (0.41) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL19214898 0.79 CARM1 (0.67) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL7055109 0.77 CARM1 (0.75) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL17346204 0.77 HTT (0.47) SIGMAR1ALDH1A1CALM1CAMKK2TSHR
SCHEMBL17345880 0.77 CARM1 (0.47) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL17346443 0.77 TAAR1 (0.47) CARM1PRMT6PRMT8SIGMAR1ALDH1A1
SCHEMBL21172166 0.76 KCNH2 (0.48) SIGMAR1ALDH1A1LMNACYP3A4CYP2C19
SCHEMBL17346044 0.76 ACKR3 (0.49) CARM1PRMT6PRMT8SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 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 (2 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN CARM1 2961/4885PRMT6 2562/4885PRMT8 2272/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN CARM1 2961/4885PRMT6 2562/4885PRMT8 2272/4885

“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.