SCHEMBL6907461

SCHEMBL6907461

O=C=NC1CC1c1c(F)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 0.38
PBRM1 Q86U86 2/20 0.38
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GAA P10253 2/20 0.34
OPRL1 P41146 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL6909162 1.00 MEN1 (0.40) MEN1KMT2AMAPK1SMARCA2SMARCA4
SCHEMBL12875546 0.74 SLC9A1 (0.44) LDHALDHBALDH1A1TP53HTR2C
SCHEMBL16591425 0.72 MEN1 (0.46) MEN1KMT2AMAPK1SMARCA2SMARCA4
SCHEMBL16591194 0.72 MEN1 (0.46) MEN1KMT2AMAPK1SMARCA2SMARCA4
SCHEMBL6904145 0.71 KDM1A (0.38) HTR2CHTR2B
SCHEMBL16585271 0.69 MEN1 (0.50) MEN1KMT2AMAPK1SMARCA2SMARCA4
SCHEMBL17985242 0.69 MEN1 (0.50) MEN1KMT2AMAPK1SMARCA2SMARCA4
SCHEMBL16585100 0.69 MEN1 (0.50) MEN1KMT2AMAPK1SMARCA2SMARCA4
SCHEMBL1586523 0.68 MEN1 (0.52) MEN1KMT2AMAPK1SMARCA2SMARCA4
SCHEMBL10529544 0.67 SLC9A1 (0.41) HTR2CHTR2BL3MBTL1

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 MEN1 4674/4885KMT2A 2276/4885MAPK1 3678/4885

“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.