SCHEMBL6747178

SCHEMBL6747178

COCN1c2cc(Cn3ccnc3C(O)c3ccc(C(=O)O)cc3)ccc2Sc2nccnc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
HDAC6 Q9UBN7 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.33
ICAM1 P05362 2/20 0.33
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL6745624 0.93 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19KMT2ALMNA
SCHEMBL8319285 0.85 HDAC6 (0.41) CYP1A2CYP2C19KMT2AHDAC6MAPT
SCHEMBL6750359 0.83 TDP1 (0.41) CYP1A2CYP2D6CYP2C19KMT2ALMNA
SCHEMBL6745797 0.83 HDAC6 (0.41) HDAC6ICAM1HDAC3HDAC1
SCHEMBL6747555 0.79 HDAC6 (0.44) KMT2ALMNAHDAC6MAPTICAM1
SCHEMBL6745496 0.78 HDAC6 (0.41) KMT2ALMNAHDAC6MAPTICAM1
SCHEMBL6750238 0.78 HDAC6 (0.42) CYP1A2CYP2C19HDAC6MAPTHDAC3
SCHEMBL6749035 0.77 HTT (0.44) HDAC6MAPT
SCHEMBL6749379 0.77 HDAC6 (0.37) HDAC6
SCHEMBL8319484 0.76 HDAC6 (0.42) HDAC6MAPTICAM1

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 CYP1A2 19/4885CYP2D6 32/4885CYP2C19 61/4885

“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.