SCHEMBL6907335

SCHEMBL6907335

O=C(Nc1ccc(Br)cn1)N(S)CCC1C=CCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.47
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7522727 0.80 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL6907332 0.75 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL6906085 0.74 RAB9A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL6230678 0.73 TSHR (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL7071783 0.72 TSHR (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5888403 0.69 TSHR (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7225023 0.69 TSHR (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5888519 0.69 MEN1 (0.60) RAB9ANPC1ALDH1A1TSHRMEN1
SCHEMBL6271372 0.69 TSHR (0.64) ALDH1A1SMN1; SMN2POLBTSHRKMT2A
SCHEMBL7022789 0.69 TSHR (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2POLB

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 1253/4885ALDH1A1 2484/4885

“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.