SCHEMBL4285705

SCHEMBL4285705

CCOC(=O)N[C@@H]1CCCC[C@@H]1n1cnc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.39
BRD4 O60885 3/20 0.38
BRD2 P25440 3/20 0.38
BRD3 Q15059 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
F2R P25116 1/20 0.38
EPHX1 P07099 1/20 0.37
CNR1 P21554 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
ACE P12821 1/20 0.35
FAAH O00519 2/20 0.35
MGLL Q99685 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4292738 1.00 ALDH1A1 (0.40) ALDH1A1TSHRBRD4BRD2BRD3
SCHEMBL4282224 0.93 CYP19A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL13705066 0.93 CYP19A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4285560 0.93 CYP19A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4296458 0.93 CYP19A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4296455 0.93 CYP19A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4296461 0.93 CYP19A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4290038 0.91 ALDH1A1 (0.37) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4291109 0.89 EPHX1 (0.35) ALDH1A1TSHREPHX1CNR1KDM4E
SCHEMBL4283612 0.89 CYP19A1 (0.41) ALDH1A1TSHRMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TSHR 3226/4885BRD4 367/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TSHR 3226/4885BRD4 367/4885

“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.