SCHEMBL21948628

SCHEMBL21948628

CC1(C)c2cc(Br)ccc2NC1c1c[nH]c2cc(O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
SLC6A4 P31645 1/20 0.37
GUSB P08236 1/20 0.36
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
THPO P40225 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL17179284 0.84 GAA (0.48) IDO1HTR2CHTR2AHTR2BMGAM
SCHEMBL17179229 0.84 HTR2C (0.36) IDO1HTR2CHTR2AHTR2BMGAM
SCHEMBL17179225 0.84 IDO1 (0.45) IDO1SLC6A4ADRA1AADRA1BHTR2C
SCHEMBL21948667 0.76 NQO2 (0.42) IDO1SLC6A4MGAMGAASI
SCHEMBL21420139 0.75 CYP2D6 (0.44) IDO1SLC6A4HTR2CHTR2AHTR2B
SCHEMBL17179285 0.75 IDO1 (0.46) IDO1SLC6A4HTR2AMGAMGAA
SCHEMBL21420153 0.71 IDO1 (0.47) IDO1HTR2AMGAMGAASI
SCHEMBL18418450 0.71 IDO1 (0.47) IDO1HTR2AMGAMGAASI
SCHEMBL17179324 0.70 IDO1 (0.46) IDO1SLC6A4HTR2AMGAMGAA
SCHEMBL17179336 0.69 MGAM (0.34) HTR2CHTR2AHTR2BMGAMGAA

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-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2021-01-28 US disclosed
US-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-04-28 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 (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-10633338-B2 Binding Function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 IDO1 4686/4885SLC6A4 2364/4885GUSB 1878/4885
US-20210024464-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 IDO1 4686/4885SLC6A4 2364/4885GUSB 1878/4885

“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.