SCHEMBL3682823

SCHEMBL3682823

[2H]C1(c2ccccc2)CC1(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.40
MAOA P21397 15/20 0.40
MAOB P27338 15/20 0.40
TSHR P16473 1/20 0.36
CYP2C19 P33261 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2B6 P20813 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL31560811 0.76 MAOB (0.41) KDM1AMAOAMAOBTSHRCYP2C19
SCHEMBL1854233 0.75 KDM1A (0.54) KDM1AMAOAMAOB
SCHEMBL25339542 0.67 KDM1A (0.61) KDM1AMAOAMAOB
SCHEMBL8845605 0.64 HTR2C (0.41) KDM1AMAOAMAOBTSHRCYP2C19
SCHEMBL8845602 0.64 HTR2C (0.41) KDM1AMAOAMAOBTSHRCYP2C19
SCHEMBL4331068 0.60 KDM1A (0.67) KDM1AMAOAMAOB
SCHEMBL12946117 0.60 KDM1A (0.67) KDM1AMAOAMAOB
SCHEMBL18298261 0.60 TSHR (0.39) KDM1AMAOAMAOBTSHRCYP2C19
SCHEMBL1274251 0.60 KDM1A (0.54) KDM1AMAOAMAOB
SCHEMBL1415636 0.60 KDM1A (0.54) KDM1AMAOAMAOB

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
EP-2312944-B1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS INC (US) 2018-09-05 EP disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 US disclosed
US-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE THERACOS, INC. (US) 2010-03-11 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-20100063141-A1 DEUTERATED BENZYLBENZENE DERIVATIVES AND METHODS OF USE SLC5A1, SLC5A2, SLC2A4 KDM1A 2074/4885MAOA 3640/4885MAOB 1039/4885

“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.