SCHEMBL6907226

SCHEMBL6907226

O=C(Nc1ccc(Cl)cn1)N[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR1 P21554 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 3/20 0.43
KDM1A O60341 2/20 0.41
POLB P06746 1/20 0.41
SLC9A1 P19634 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL9033725 1.00 KMT2A (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9032140 0.83 CNR1 (0.50) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6907422 0.83 CNR1 (0.50) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6900498 0.83 CNR1 (0.67) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9033095 0.83 CNR1 (0.67) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9034906 0.82 MEN1 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6902360 0.82 MEN1 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6901308 0.81 CNR1 (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9034699 0.81 CNR1 (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6906200 0.76 SMN1; SMN2 (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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 KMT2A 2276/4885MEN1 4674/4885RAB9A 3313/4885

“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.