SCHEMBL6903802

SCHEMBL6903802

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.55
RAB9A P51151 9/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
RXFP1 Q9HBX9 2/20 0.55
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL6903787 0.82 ALOX15 (0.58) NPC1RAB9AKMT2ATP53TSHR
SCHEMBL6908256 0.76 CHRNB2 (0.49) NPC1RAB9AKMT2A
SCHEMBL6901417 0.74 NPC1 (0.41) NPC1RAB9AKMT2AKDM4E
SCHEMBL5822689 0.73 HSPA5 (0.40) NPC1RAB9AKMT2A
SCHEMBL1504119 0.73 TSHR (0.61) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1067851 0.72 TSHR (0.65) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL31241065 0.72 RAB9A (0.79) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL1558817 0.72 RAB9A (0.79) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5202785 0.71
Lithium SCHEMBL208951 0.71 TSHR (0.59) NPC1RAB9AMEN1KMT2ARXFP1

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 NPC1 1253/4885RAB9A 3313/4885MEN1 4674/4885

“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.