SCHEMBL6906856

SCHEMBL6906856

CC(NC(=S)Nc1ccc(Br)cn1)c1ncccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
POLB P06746 2/20 0.46
LTC4S Q16873 2/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.40
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37

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
SCHEMBL6907276 0.86 MAPK1 (0.53) RAB9ANPC1POLBLMNASMN1; SMN2
SCHEMBL7062575 0.86 MAPK1 (0.40) ALDH1A1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL7751110 0.84 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1POLBLTC4S
SCHEMBL7659502 0.80 RAB9A (0.41) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6963003 0.80 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1POLBLTC4S
SCHEMBL7749825 0.77 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1POLBLTC4S
SCHEMBL6906860 0.74 RAB9A (0.40) ALDH1A1RAB9ANPC1POLBLMNA
SCHEMBL8191980 0.74 FPR2 (0.55) ALDH1A1RAB9ANPC1POLBLTC4S
SCHEMBL8197608 0.74 RAB9A (0.56) ALDH1A1RAB9ANPC1POLBLTC4S
SCHEMBL7097157 0.72 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1POLBLTC4S

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 4 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-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

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 2484/4885RAB9A 3313/4885NPC1 1253/4885

“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.