SCHEMBL6903787

SCHEMBL6903787

O=C(Nc1ccc(Cl)cn1)c1ncc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
BRD4 O60885 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
PTK2 Q05397 1/20 0.54
RAB9A P51151 6/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NPC1 O15118 5/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
CGAS Q8N884 1/20 0.48

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
SCHEMBL6903802 0.82 NPC1 (0.55) SMN1; SMN2RAB9ATSHRTP53NPC1
SCHEMBL24654650 0.77 L3MBTL1 (0.78) ALOX15L3MBTL1BRD4SMN1; SMN2PTK2
SCHEMBL29837506 0.76 L3MBTL1 (0.66) ALOX15L3MBTL1BRD4SMN1; SMN2PTK2
SCHEMBL28764679 0.76 L3MBTL1 (0.66) ALOX15L3MBTL1BRD4SMN1; SMN2PTK2
SCHEMBL6908256 0.76 CHRNB2 (0.49) RAB9ANPC1KMT2A
SCHEMBL4192471 0.75 L3MBTL1 (0.58) ALOX15L3MBTL1BRD4SMN1; SMN2PTK2
SCHEMBL4675605 0.74 RAB9A (0.63) ALOX15L3MBTL1BRD4SMN1; SMN2PTK2
SCHEMBL6901417 0.74 NPC1 (0.41) RAB9ANPC1KMT2AALDH1A1PKM
SCHEMBL14516696 0.74 KCNQ3 (0.47) RAB9ANFKB1NFKB2RELANPC1
SCHEMBL18070988 0.73 L3MBTL1 (0.60) ALOX15L3MBTL1BRD4SMN1; SMN2PTK2

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 ALOX15 2351/4885L3MBTL1 1445/4885BRD4 504/4885

“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.