SCHEMBL6907458

SCHEMBL6907458

O=C(Nc1ccc(Br)cn1)NC1CC1c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HCRTR2 O43614 6/20 0.43
HCRTR1 O43613 4/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6907454 1.00 RAB9A (0.45) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL6905605 0.86 ALDH1A1 (0.48) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL6905601 0.86 ALDH1A1 (0.48) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL6906200 0.86 SMN1; SMN2 (0.56) RAB9ANPC1MEN1KMT2AHCRTR2
SCHEMBL6905845 0.83 HCRTR1 (0.46) MEN1KMT2AHCRTR2HCRTR1
SCHEMBL6099357 0.82 RAB9A (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6099353 0.82 RAB9A (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6907299 0.81 SMN1; SMN2 (0.53) RAB9ANPC1MEN1KMT2AHCRTR2
SCHEMBL6907303 0.81 SMN1; SMN2 (0.53) RAB9ANPC1MEN1KMT2AHCRTR2
SCHEMBL6907237 0.80 RAB9A (0.47) RAB9ANPC1MEN1KMT2AHCRTR2

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 RAB9A 3313/4885NPC1 1253/4885MEN1 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.