SCHEMBL19903050

SCHEMBL19903050

COc1ccc(Cl)cc1C(=O)N1CCON(c2nc(C)cc(C)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HCRTR1 O43613 8/20 0.51
HCRTR2 O43614 8/20 0.51
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE2A O00408 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL19902937 0.87 KDM4E (0.58) KDM4EHCRTR1HCRTR2ALOX15TSHR
SCHEMBL19894159 0.86 HCRTR1 (0.59) KDM4EALDH1A1CYP2C9CYP2C19HCRTR1
SCHEMBL20223578 0.85 L3MBTL1 (0.51) KDM4EHCRTR1HCRTR2ALOX15TSHR
SCHEMBL19894157 0.85 HCRTR1 (0.48) ALDH1A1HCRTR1HCRTR2ALOX15TSHR
SCHEMBL19894052 0.82 HCRTR1 (0.45) KDM4EALDH1A1HCRTR1HCRTR2ALOX15
SCHEMBL20223582 0.82 MEN1 (0.43) KDM4EALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL19893994 0.82 GBA1 (0.57) KDM4EALDH1A1KMT2APDE2AMAPT
SCHEMBL19894126 0.81 HCRTR1 (0.58) KDM4EALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL19894151 0.80 GBA1 (0.59) KDM4EALDH1A1KMT2AHPGD
SCHEMBL20223579 0.78 PDE2A (0.45) KDM4EALDH1A1KMT2APDE2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
EP-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR KDM4E 2226/4885ALDH1A1 500/4885CYP1A2 1189/4885

“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.