SCHEMBL6907326

SCHEMBL6907326

CCOc1ccc(F)c(C=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.40
ATM Q13315 2/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERN1 O75460 1/20 0.36
EPAS1 Q99814 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1358753 0.87 TACR2 (0.43) TACR2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL6907311 0.85 TSHR (0.40) TACR2LMNAHPGDL3MBTL1HTT
SCHEMBL2251133 0.85 DRD1 (0.37) TACR2ALDH1A1HPGDL3MBTL1TDP1
SCHEMBL1049554 0.83 FDPS (0.40) ALDH1A1LMNAHPGDL3MBTL1HTT
SCHEMBL2248374 0.82 HTR2C (0.45) ALDH1A1HPGDL3MBTL1HTTTDP1
SCHEMBL2253680 0.81 ERN1 (0.42) ALDH1A1LMNAHPGDHTTTSHR
SCHEMBL1052544 0.81 EPAS1 (0.40) ALDH1A1L3MBTL1HTTCYP3A4CYP2C9
SCHEMBL453334 0.80 ALDH1A1 (0.45) TACR2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL3363155 0.79 LMNA (0.42) TACR2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL410179 0.78 NPC1 (0.54) TACR2HPGDL3MBTL1ATMMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
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 TACR2 4242/4885ALDH1A1 2484/4885LMNA 2143/4885

“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.