SCHEMBL3606076

SCHEMBL3606076

Fc1cc(F)c(OCc2ccccc2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.56
MAOB P27338 4/20 0.56
MAOA P21397 2/20 0.56
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 1/20 0.40

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
SCHEMBL30674665 1.00 KDM1A (0.56) KDM1AMAOBMAOATHRATHRB
SCHEMBL8252175 0.91 THRB (0.58) KDM1AMAOBMAOATHRATHRB
SCHEMBL15729561 0.87 MAPT (0.57) KDM1AMAOBMAOATHRATHRB
SCHEMBL25430974 0.84 THRB (0.48) KDM1AMAOBMAOATHRATHRB
SCHEMBL15729804 0.81 THRA (0.49) KDM1AMAOBMAOATHRATHRB
SCHEMBL9321924 0.81 THRB (0.46) KDM1AMAOBMAOATHRATHRB
SCHEMBL1017228 0.81 KDM1A (0.54) KDM1AMAOBMAOATHRATHRB
SCHEMBL3920253 0.80 KDM1A (0.59) KDM1AMAOBMAOAMAPTGAA
SCHEMBL30259750 0.80 KDM1A (0.56) KDM1AMAOBMAOATHRATHRB
SCHEMBL27901340 0.80 KDM1A (0.59) KDM1AMAOBMAOAHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177539-A1 ER DEGRADERS AND USES THEREOF ASTRAZENECA AB (SE) 2025-06-05 US disclosed
CN-105980392-A Bromodomain inhibitors 艾伯维公司 2016-09-28 CN disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
EP-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 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 (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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 KDM1A 1508/4885MAOB 1465/4885MAOA 1356/4885
US-20250177539-A1 ER DEGRADERS AND USES THEREOF ESR1, ESR2, ESRRA KDM1A 701/4885MAOB 1173/4885MAOA 1295/4885

“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.