SCHEMBL6905477

SCHEMBL6905477

Fc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LTC4S Q16873 2/20 0.62
RAB9A P51151 9/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
ALOX12 P18054 2/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
NPC1 O15118 5/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GBA1 P04062 1/20 0.42
SSTR4 P31391 1/20 0.42

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
SCHEMBL14439883 0.93 ALDH1A1 (0.62) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL2792582 0.88 ALDH1A1 (0.56) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL29624176 0.86 ALDH1A1 (0.70) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL5390696 0.86 ALDH1A1 (0.70) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL14439885 0.86 LTC4S (0.61) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL30083706 0.85 LTC4S (0.56) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL29355134 0.85 RAB9A (0.67) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL6963627 0.82 ALDH1A1 (0.55) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL29657174 0.82 ALDH1A1 (0.55) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A
SCHEMBL5888383 0.82 ALDH1A1 (0.74) ALDH1A1LTC4SRAB9ASMN1; SMN2KMT2A

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 ALDH1A1 2484/4885LTC4S 897/4885RAB9A 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.