SCHEMBL2133774

SCHEMBL2133774

N#Cc1ccc2sc(-c3ccccc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.57
▸ KDM4E B2RXH2 6/20 0.54
▸ NFKB1 P19838 7/20 0.51
▸ NFKB2 Q00653 7/20 0.51
▸ RELA Q04206 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ HPGD P15428 3/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ PKM P14618 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ POLB P06746 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ PPARA Q07869 1/20 0.47

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
SCHEMBL28868335 0.88 APP (0.74) APPKDM4ENFKB1NFKB2RELA
SCHEMBL11086967 0.84 KDM4E (0.54) APPKDM4ENFKB1NFKB2RELA
SCHEMBL11606439 0.82 APP (0.56) APPKDM4ENFKB1NFKB2RELA
SCHEMBL6807684 0.81 APP (0.63) APPKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL29928086 0.81 APP (0.63) APPKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL24332462 0.81 APP (0.64) APPKDM4ENFKB1NFKB2RELA
SCHEMBL25028302 0.80 APP (0.68) APPKDM4ENFKB1NFKB2RELA
SCHEMBL25566952 0.80 RAB9A (0.61) APPKDM4ENFKB1NFKB2RELA
SCHEMBL24331835 0.80 APP (0.67) APPKDM4ENFKB1NFKB2RELA
SCHEMBL24332354 0.80 APP (0.52) APPKDM4ENFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180590-A A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free 福建医科大学 2019-01-11 — — CN disclosed
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 — — US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 — — US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 — — EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 — — US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 — — US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 — — US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 — — 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR APP 1198/4885KDM4E 3428/4885NFKB1 3489/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR APP 1198/4885KDM4E 3428/4885NFKB1 3489/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR APP 1198/4885KDM4E 3428/4885NFKB1 3489/4885

“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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