SCHEMBL30085708

SCHEMBL30085708

Clc1ccc(C2=CN3c4ccccc4SC3N2CCCN2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.37
▸ SLC6A2 P23975 4/20 0.37
▸ HRH1 P35367 4/20 0.37
▸ ADRA2C P18825 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ CHRM2 P08172 2/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ ADRA2A P08913 2/20 0.37

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
SCHEMBL30085699 0.91 HRH3 (0.39) HRH3HRH1KCNH2SIGMAR1LMNA
SCHEMBL30085724 0.88 HRH3 (0.36) HRH3SIGMAR1CYP1A2CYP3A4TDP1
SCHEMBL29924699 0.85 FPR2 (0.34) SLC6A2HRH1ADRA2CSLC6A4SLC6A3
SCHEMBL29925527 0.83 KDM1A (0.33) HRH3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL30085768 0.82 KDM4E (0.38) HRH3KCNH2SIGMAR1DRD2HTR7
SCHEMBL29924781 0.81 FPR2 (0.34) HRH3KCNH2CYP2D6CYP2C19FPR2
SCHEMBL30085741 0.79 CACNA1C (0.41) HRH3SLC6A2HRH1ADRA2CSLC6A4
SCHEMBL29925063 0.79 CD274 (0.37) HRH3SLC6A2HRH1ADRA2CSLC6A4
SCHEMBL11011280 0.79 CACNA1C (0.35) CACNA1CLMNADRD4
SCHEMBL29924716 0.78 HRH3 (0.42) HRH3CYP2D6HTR2ACYP2C19CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220370431-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-11-24 — — US claimed

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-20220370431-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER MYC, MYCBP, MYCBP2 HRH3 4838/4885SLC6A2 4674/4885HRH1 4846/4885

“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.

Send feedback