SCHEMBL6749131

SCHEMBL6749131

COCN1c2cc(C=Cc3ccncc3)ccc2Sc2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 3/20 0.37
CYP1A2 P05177 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ROCK2 O75116 3/20 0.33
MAP4K4 O95819 3/20 0.33
PRKACA P17612 3/20 0.33
ROCK1 Q13464 3/20 0.33
DYRK1A Q13627 3/20 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
SCHEMBL6749127 1.00 MAPT (0.39) MAPTSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL6749394 0.88 HDAC6 (0.34) HDAC6
SCHEMBL6749401 0.88 HDAC6 (0.34) HDAC6
SCHEMBL8319484 0.86 HDAC6 (0.42) MAPTHDAC6MKNK2
SCHEMBL8319481 0.86 HDAC6 (0.42) MAPTHDAC6MKNK2
SCHEMBL6749215 0.85 HDAC6 (0.34) ALDH1A1CYP3A4HDAC6
SCHEMBL6749216 0.85 HDAC6 (0.34) ALDH1A1CYP3A4HDAC6
SCHEMBL6745548 0.85 HDAC6 (0.36) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL6749156 0.85 ALDH1A1 (0.40) MAPTALDH1A1HDAC6
SCHEMBL6749009 0.84 FDPS (0.39) HDAC6

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 MAPT 1257/4885SMN1; SMN2 4491/4885HPGD 592/4885

“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.