SCHEMBL1680441

SCHEMBL1680441

CC(C)=Cc1ccc(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALPL P05186 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
G6PD P11413 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DAO P14920 1/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 3/20 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
SCHEMBL8045628 0.79 ALDH1A1 (0.41) TNFRSF1AKMT2AMEN1ALPLHSP90AA1
SCHEMBL11483527 0.79 RAB9A (0.39) TNFRSF1AKMT2AMEN1ALPLHSP90AA1
SCHEMBL11490151 0.77 MEN1 (0.41) TNFRSF1AKMT2AMEN1ALPLHSP90AA1
SCHEMBL4607795 0.77 DAO (0.41) TNFRSF1AKMT2AMEN1ALPLHSP90AA1
SCHEMBL16159954 0.74 CES2 (0.40) TNFRSF1AKMT2AMEN1ALPLHSP90AA1
SCHEMBL28770002 0.73
SCHEMBL8306508 0.72 DAO (0.45) KMT2AMEN1ALPLHSP90AA1ALPI
SCHEMBL4486603 0.72 GLA (0.44) TNFRSF1AKMT2AMEN1ALPLHSP90AA1
SCHEMBL8306509 0.72 DAO (0.45) KMT2AMEN1ALPLHSP90AA1ALPI
SCHEMBL4486601 0.72 GLA (0.44) TNFRSF1AKMT2AMEN1ALPLHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 TNFRSF1A 3408/4885KMT2A 3747/4885MEN1 351/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD TNFRSF1A 4752/4885KMT2A 2620/4885MEN1 1165/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 TNFRSF1A 3355/4885KMT2A 3740/4885MEN1 248/4885

“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.