SCHEMBL5040001

SCHEMBL5040001

Cc1nc2occc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL5040106 0.78
SCHEMBL5039810 0.75 KDM4E (0.34) KDM4EALDH1A1LMNARAB9AMAPT
SCHEMBL24400864 0.67 KDM4E (0.40) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL5039520 0.67 ALDH1A1 (0.40) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL5036416 0.64
SCHEMBL24400855 0.62 CDK9 (0.30)
SCHEMBL24400858 0.62
SCHEMBL10885246 0.61 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL353890 0.61 SMN1; SMN2 (0.63) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL13916682 0.61 KDM4E (0.69) KDM4EALDH1A1LMNARAB9ANPC1

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-20230203057-A1 FIVE-MEMBERED HETEROAROMATIC IMIDAZOLE COMPOUND AND USE THEREOF HANGZHOU SCIWIND BIOSCIENCES CO., LTD (CN) 2023-06-29 US disclosed
US-11542272-B2 Five-membered heteroaryl-fused imidazole compound and application thereof HANGZHOU SCIWIND BIOSCIENCES CO., LTD (CN) 2023-01-03 US disclosed
US-20220135588-A1 Five-Membered Heteroaryl-Fused Imidazole Compound And Application Thereof HANGZHOU SCIWIND BIOSCIENCES CO., LTD (CN) 2022-05-05 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20220135588-A1 Five-Membered Heteroaryl-Fused Imidazole Compound And Application Thereof GLP1R, GIPR, GPR119 KDM4E 3016/4885ALDH1A1 1731/4885LMNA 4588/4885
US-20230203057-A1 FIVE-MEMBERED HETEROAROMATIC IMIDAZOLE COMPOUND AND USE THEREOF GLP1R, GIPR, GPR119 KDM4E 2923/4885ALDH1A1 1560/4885LMNA 4747/4885
US-11542272-B2 Five-membered heteroaryl-fused imidazole compound and application thereof GLP1R, GIPR, GPR119 KDM4E 3016/4885ALDH1A1 1731/4885LMNA 4588/4885
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B KDM4E 1003/4885ALDH1A1 492/4885LMNA 351/4885

“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.