SCHEMBL12714992

SCHEMBL12714992

Brc1ccc(C2CC2Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 9/20 0.62
▸ MAOB P27338 5/20 0.62
▸ KCNH2 Q12809 2/20 0.62
▸ RCOR1 Q9UKL0 2/20 0.62
▸ KDM1B Q8NB78 1/20 0.62
▸ HTR2C P28335 2/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ MAOA P21397 2/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL24658830 1.00 KDM1A (0.62) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL883113 0.83 KDM1A (0.68) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL12295868 0.83 KDM1A (0.68) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL15606869 0.82 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL17403045 0.77 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL1524305 0.77 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL16019172 0.77 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL1524304 0.77 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL12875752 0.77 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL24658449 0.77 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 — — WO disclosed
EP-2001895-B1 PROCESS FOR SYNTHESIZING ORGANOELEMENTAL COMPOUNDS UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2014-08-13 — — EP disclosed
US-20110084230-A1 Process for Synthesizing Organoelemental Compounds LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2011-04-14 — — US disclosed
US-20110084230-A1 Process for Synthesizing Organoelemental Compounds LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2011-04-14 — — US disclosed
WO-2007113294-A1 PROCESS FOR SYNTHESIZING ORGANOELEMENTAL COMPOUNDS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2007-10-11 — — WO 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-20110084230-A1 Process for Synthesizing Organoelemental Compounds CHRM1, CHRM2, MLX KDM1A 2235/4885MAOB 69/4885KCNH2 2475/4885

“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.

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