SCHEMBL1680773

SCHEMBL1680773

N#Cc1ccc(Oc2ccccc2Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRB2 P07550 1/20 0.43
SLC22A12 Q96S37 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
CXCL8 P10145 1/20 0.34
BLM P54132 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL1680427 0.81 MEN1 (0.38) ARLMNASLC22A12KMT2AALDH1A1
SCHEMBL921472 0.80 AR (0.47) ARLMNASMN1; SMN2SLC22A12KMT2A
SCHEMBL12808365 0.76 MAPT (0.39) ARLMNASMN1; SMN2ADRB2KMT2A
SCHEMBL1106848 0.75 TSHR (0.41) LMNASMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL1680440 0.72 AR (0.43) ARLMNASMN1; SMN2ADRB2KMT2A
SCHEMBL1680719 0.71 AR (0.49) ARLMNASLC22A12FNTAFNTB
SCHEMBL510507 0.70 GAA (0.43) SMN1; SMN2SLC22A12KMT2AALDH1A1HPGD
SCHEMBL12352098 0.70 HPGD (0.36) ARLMNASMN1; SMN2ADRB2KMT2A
SCHEMBL1680855 0.70 DPP4 (0.42) LMNASMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL1436765 0.69 HPGD (0.59) LMNASMN1; SMN2KMT2AALDH1A1HTT

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 9 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-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
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 AR 4059/4885LMNA 2372/4885SMN1; SMN2 4831/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD AR 4855/4885LMNA 698/4885SMN1; SMN2 4683/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 AR 4094/4885LMNA 2208/4885SMN1; SMN2 4814/4885

“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.