SCHEMBL6907091

SCHEMBL6907091

COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
PKM P14618 2/20 0.50
LTC4S Q16873 1/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.45
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
THRB P10828 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
SCHEMBL29657174 0.83 ALDH1A1 (0.55) KMT2APKMLTC4SMEN1MAPT
SCHEMBL6963627 0.83 ALDH1A1 (0.55) KMT2APKMLTC4SMEN1MAPT
SCHEMBL30083706 0.79 LTC4S (0.56) KMT2APKMLTC4SMEN1MAPT
SCHEMBL6957993 0.78 POLB (0.57) KMT2APKMMEN1MAPTRAB9A
SCHEMBL6907093 0.76 RAB9A (0.47) KMT2APKMMEN1MAPTRAB9A
SCHEMBL30672777 0.76 LTC4S (0.46) KMT2APKMLTC4SMEN1MAPT
SCHEMBL6907153 0.74 ALDH1A1 (0.55) KMT2APKMLTC4SMEN1MAPT
SCHEMBL2790373 0.74 KMT2A (0.55) KMT2APKMLTC4SMEN1MAPT
SCHEMBL14439884 0.74 ALDH1A1 (0.54) KMT2APKMLTC4SMEN1MAPT
Thiourea, N-(5-Bromo-2-Pyridinyl)-N'-(2-(2-Chloro-3-Ethoxy-6-Fluorophenyl)Ethyl)- SCHEMBL29422945 0.72 ALDH1A1 (0.52) KMT2APKMLTC4SMEN1MAPT

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 KMT2A 2276/4885PKM 3716/4885LTC4S 897/4885

“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.