SCHEMBL6904145

SCHEMBL6904145

CCOc1ccc(F)c(C2CC2N=C=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
HCRTR1 O43613 9/20 0.37
HCRTR2 O43614 9/20 0.37
HTR2C P28335 8/20 0.37
HTR2B P41595 8/20 0.37
HTR2A P28223 5/20 0.37

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
SCHEMBL7526567 0.78 KDM1A (0.57) KDM1AHTR2CHTR2BHTR2A
SCHEMBL7526575 0.78 KDM1A (0.57) KDM1AHTR2CHTR2BHTR2A
SCHEMBL6901272 0.75 FFAR1 (0.42) KDM1AHTR2CHTR2BHTR2A
SCHEMBL6903831 0.75 FFAR1 (0.42) KDM1AHTR2CHTR2BHTR2A
SCHEMBL6901277 0.75 FFAR1 (0.42) KDM1AHTR2CHTR2BHTR2A
SCHEMBL8627563 0.72 KDM1A (0.39) KDM1AHCRTR1HCRTR2HTR2CHTR2B
SCHEMBL6907461 0.71 MEN1 (0.40) HTR2CHTR2B
SCHEMBL6909162 0.71 MEN1 (0.40) HTR2CHTR2B
SCHEMBL7661595 0.66 KDM1A (0.46) KDM1AHTR2CHTR2BHTR2A
SCHEMBL28592033 0.65 HTR2C (0.49) KDM1AHTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 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-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E KDM1A 1796/4885HCRTR1 3146/4885HCRTR2 4194/4885

“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.