SCHEMBL20909549

SCHEMBL20909549

COc1ccc(CCN)cc1Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ATM Q13315 1/20 0.60
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
APEX1 P27695 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL22712813 0.87 LTA4H (0.46)
SCHEMBL2090122 0.85 CA2 (0.57)
SCHEMBL27854539 0.82 GAA (0.53) KDM4ETSHR
Hydrochloric Acid SCHEMBL9467955 0.81 TAAR1 (0.66) KDM4EATMLMNA
SCHEMBL27809558 0.81 FFAR4 (0.56)
Ethylbenzene SCHEMBL28901356 0.78 KDM4E (0.75) KDM4EATMCYP1A2CYP3A4TSHR
SCHEMBL30028263 0.77 KDM4E (0.68) KDM4EATMCYP1A2CYP3A4MEN1
SCHEMBL2742565 0.77 KDM4E (0.68) KDM4EATMCYP1A2CYP3A4LMNA
SCHEMBL67744 0.77 KDM4E (0.68) KDM4EATMCYP1A2CYP3A4MEN1
SCHEMBL3958050 0.77 GPR55 (0.50) KDM4ECYP3A4TSHR

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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT KDM4E 289/4885ATM 4394/4885CYP1A2 1713/4885

“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.