SCHEMBL1680928

SCHEMBL1680928

O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2ncsc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HDAC1 Q13547 1/20 0.57
LMNA P02545 1/20 0.57
NAMPT P43490 2/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.56
ALOX12 P18054 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 2/20 0.54
TDP1 Q9NUW8 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50

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
SCHEMBL13491711 0.92 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNANAMPT
SCHEMBL7456577 0.91 KDM4E (0.64) SMN1; SMN2ALDH1A1KDM4EHDAC1NAMPT
SCHEMBL13491636 0.90 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4ELMNANAMPT
SCHEMBL1681459 0.89 NPC1 (0.57) SMN1; SMN2ALDH1A1KDM4ENAMPTNPC1
SCHEMBL13491633 0.86 NAMPT (0.60) SMN1; SMN2ALDH1A1KDM4EHDAC1NAMPT
SCHEMBL13491671 0.85 NPC1 (0.69) SMN1; SMN2ALDH1A1KDM4EHDAC1NAMPT
SCHEMBL1681191 0.84 FFAR1 (0.56) SMN1; SMN2ALDH1A1KDM4ELMNANAMPT
SCHEMBL13491661 0.83 CYP2C9 (0.61) SMN1; SMN2ALDH1A1HDAC1LMNANPC1
SCHEMBL13491716 0.83 MAPK14 (0.59) SMN1; SMN2ALDH1A1KDM4ELMNANAMPT
SCHEMBL13491681 0.83 NPC1 (0.60) SMN1; SMN2ALDH1A1KDM4ELMNANAMPT

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 14 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 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 (4 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX SMN1; SMN2 4766/4885ALDH1A1 3801/4885KDM4E 2045/4885
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 SMN1; SMN2 4831/4885ALDH1A1 1677/4885KDM4E 3112/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD SMN1; SMN2 4683/4885ALDH1A1 1926/4885KDM4E 3022/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 SMN1; SMN2 4814/4885ALDH1A1 1459/4885KDM4E 3245/4885

“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.