SCHEMBL6745573

SCHEMBL6745573

C=CCN1c2ccccc2Nc2nccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
ALDH1A1 P00352 6/20 0.41
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
AKT1 P31749 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL6747312 0.78 ALDH1A1 (0.45) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL2355074 0.78 GAA (0.59) GAAALDH1A1KDM4EMAPTKMT2A
SCHEMBL6752003 0.77 ALDH1A1 (0.41) GAAALDH1A1KDM4EMAPTALPL
SCHEMBL6749081 0.77 ALDH1A1 (0.50) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6747868 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EALPLLMNASMN1; SMN2
SCHEMBL6749181 0.72 BRPF1 (0.41) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL6749102 0.71 ALDH1A1 (0.42) ALDH1A1ALPLSMN1; SMN2AKT1RAB9A
SCHEMBL6752021 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EALPLSMN1; SMN2AKT1
SCHEMBL6747353 0.70 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ALPLLMNA
SCHEMBL6749236 0.69 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AALPLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (1 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 GAA 2552/4885ALDH1A1 145/4885BRD4 40/4885

“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.