SCHEMBL1680566

SCHEMBL1680566

O=Cc1ccn(Cc2ccc3c(c2)OCO3)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TSHR P16473 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL18003188 0.86 TDP1 (0.49) CMA1ALDH1A1TDP1HSD17B10TSHR
SCHEMBL1681076 0.77 TAAR1 (0.51) CMA1HSD17B10TSHRKMT2ASMN1; SMN2
SCHEMBL19500866 0.76 CMA1 (0.60) CMA1TDP1HSD17B10TSHRKMT2A
SCHEMBL27419118 0.74 TDP1 (0.68) CMA1ALDH1A1TDP1HSD17B10KMT2A
SCHEMBL23575977 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRKMT2ASMN1; SMN2
SCHEMBL510501 0.71 DRD2 (0.52) CMA1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL406700 0.70 CYP3A4 (0.70) CMA1ALDH1A1TDP1HSD17B10KMT2A
SCHEMBL30194501 0.70 CYP3A4 (0.70) CMA1ALDH1A1TDP1HSD17B10KMT2A
SCHEMBL21373550 0.70 CMA1 (0.53) CMA1HSD17B10TSHRKMT2ASMN1; SMN2
SCHEMBL511716 0.70 NPC1 (0.55) ALDH1A1TDP1KMT2ASMN1; SMN2L3MBTL1

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 CMA1 314/4885ALDH1A1 1677/4885TDP1 3095/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD CMA1 1634/4885ALDH1A1 1926/4885TDP1 2562/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 CMA1 276/4885ALDH1A1 1459/4885TDP1 2976/4885

“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.

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