SCHEMBL17434122

SCHEMBL17434122

CCn1c(=O)c2cc(NC(=O)C(C)CNC(=O)O)ccc2n(CC)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.52
▸ MAPT P10636 6/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPY5R Q15761 4/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPY2R P49146 1/20 0.40
▸ PABPC1 P11940 1/20 0.40

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
SCHEMBL17434391 0.85 RORC (0.54) RORCMAPTLMNAALDH1A1HPGD
SCHEMBL19669668 0.82 RORC (0.49) RORCMAPTLMNAALDH1A1HPGD
SCHEMBL17434574 0.79 RORC (0.67) RORCMAPTLMNA
SCHEMBL17434295 0.78 RORC (0.61) RORCMAPTLMNAALDH1A1HPGD
SCHEMBL19669667 0.78 RORC (0.46) RORCMAPTLMNAALDH1A1HPGD
SCHEMBL17434030 0.77 RORC (0.71) RORCMAPTLMNAALDH1A1NPY5R
SCHEMBL17434559 0.77 RORC (0.59) RORCMAPTLMNAALDH1A1NPY5R
SCHEMBL17434561 0.77 RORC (0.59) RORCMAPTLMNAALDH1A1NPY5R
SCHEMBL17434593 0.76 RORC (0.64) RORCMAPTLMNANPY5RKDM4E
SCHEMBL17434508 0.76 RORC (0.69) RORCMAPTLMNANPY5RKDM4E

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-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 — — US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 — — US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA RORC 2/4885MAPT 3009/4885LMNA 4161/4885

“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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