SCHEMBL10074974

SCHEMBL10074974

FC1(F)CCc2cc(Br)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
AHR P35869 3/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
BACE1 P56817 5/20 0.34
FAAH O00519 1/20 0.34
PNMT P11086 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
HTR2C P28335 1/20 0.33
AKT1 P31749 2/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL2090589 0.79 HRH3 (0.38) KDM1AAHR
SCHEMBL14449820 0.79 KDM4E (0.36) MAPTHTTAKT1
SCHEMBL669764 0.79 MAPT (0.47) KDM1AMAPTAKT1
SCHEMBL27469647 0.76 KDM1A (0.38) KDM1AAHRLMNAMAPTHTT
SCHEMBL17030528 0.75 CYP4F2 (0.39) KDM1AHTR2CAKT1
SCHEMBL10074485 0.75 KDM1A (0.34) KDM1AAHRLMNAMAPTHTT
SCHEMBL5321592 0.75 HTR2C (0.46) KDM1AAHRPNMTASIC3HTR2C
SCHEMBL10075588 0.75 ALDH1A1 (0.42) MAPT
SCHEMBL14945598 0.73 HTR2A (0.42) BACE1HTR2C
SCHEMBL10075388 0.73 RXRA (0.56) KDM1AMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040524-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicycle benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-9040524-B2 Antifungal 5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicycle benzene derivatives JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
EP-2668187-B1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-10-15 EP disclosed
US-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-10 US disclosed
US-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-10 US disclosed
WO-2012084804-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-06-28 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-20130267507-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES GABBR1, CYP1B1, GABBR2 KDM1A 529/4885AHR 66/4885LMNA 4329/4885

“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.