SCHEMBL24915662

SCHEMBL24915662

COc1cc(CN2CCN(C)CC2)c2nccc(Br)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
METAP2 P50579 1/20 0.46
HTR6 P50406 9/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2C P18825 2/20 0.45
HTR2A P28223 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL29923662 1.00 SMN1; SMN2 (0.48) SMN1; SMN2MAPTGAAMETAP2HTR6
SCHEMBL24916498 0.90 KDM4E (0.49) SMN1; SMN2MAPTGAAMETAP2CYP2D6
SCHEMBL29923592 0.90 KDM4E (0.49) SMN1; SMN2MAPTGAAMETAP2CYP2D6
SCHEMBL24916132 0.90 KDM4E (0.42) SMN1; SMN2MAPTGAAMETAP2HTR6
SCHEMBL29923190 0.89 KDM4E (0.51) SMN1; SMN2MAPTGAAMETAP2CYP2D6
SCHEMBL24916335 0.89 KDM4E (0.51) SMN1; SMN2MAPTGAAMETAP2CYP2D6
SCHEMBL29923685 0.87 HTT (0.48) SMN1; SMN2MAPTMETAP2KDM4EALDH1A1
SCHEMBL24915852 0.87 HTT (0.48) SMN1; SMN2MAPTMETAP2KDM4EALDH1A1
SCHEMBL24916127 0.85 ALDH1A1 (0.48) SMN1; SMN2MAPTHTR6KDM4EALDH1A1
SCHEMBL24916141 0.85 ALDH1A1 (0.40) SMN1; SMN2MAPTGAACYP2D6CYP2C19

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 SMN1; SMN2 2582/4885MAPT 1413/4885GAA 3980/4885

“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.