SCHEMBL1680586

SCHEMBL1680586

Cc1ccc(Cc2ccc(C=O)s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.47
ADRA1D P25100 3/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.40
THRB P10828 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ADRA1A P35348 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
SCHEMBL40949 0.81
SCHEMBL10017405 0.81 PRMT6 (0.65) PRMT6ADRA1DALDH1A1MAPTTHRB
SCHEMBL510175 0.79 ALDH1A1 (0.45) ADRA1DALDH1A1MAPTTHRBKMT2A
SCHEMBL23110028 0.76 PRMT6 (0.46) PRMT6ADRA1DALDH1A1MAPTTHRB
SCHEMBL158329 0.75
SCHEMBL8946118 0.75 MAPT (0.50) ALDH1A1MAPTTHRBHPGDKMT2A
SCHEMBL20546761 0.75 ADRA1D (0.39) ADRA1DALDH1A1MAPTHPGDKMT2A
SCHEMBL1680505 0.75 ALDH1A1 (0.46) ADRA1DALDH1A1MAPTTHRBKMT2A
SCHEMBL29020313 0.74 ALDH1A1 (0.44) ADRA1DALDH1A1MAPTHPGDKMT2A
SCHEMBL1680416 0.74 TBXAS1 (0.47) ADRA1DALDH1A1HPGDKDM4EADRA1A

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 PRMT6 4044/4885ADRA1D 2969/4885ALDH1A1 1677/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PRMT6 2409/4885ADRA1D 2927/4885ALDH1A1 1926/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PRMT6 3907/4885ADRA1D 2946/4885ALDH1A1 1459/4885

“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.