SCHEMBL4292801

SCHEMBL4292801

COc1cc(Br)ccc1OCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 7/20 0.40
HTR1B P28222 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
CCR5 P51681 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4281811 0.88 PTGES (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
Hydrochloric Acid SCHEMBL4295442 0.88 KDM4E (0.47) KDM4EALDH1A1LMNATDP1HPGD
Hydrochloric Acid SCHEMBL4292929 0.87 HPGD (0.38) HPGDHSD17B10KMT2A
Hydrochloric Acid SCHEMBL4294403 0.86 KMT2A (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL4285718 0.85 KDM4E (0.41) KDM4EALDH1A1HTR1BTDP1MEN1
SCHEMBL4292712 0.85 DRD3 (0.46) ALDH1A1HPGDMEN1KMT2ATP53
SCHEMBL4750156 0.85 DRD3 (0.46) ALDH1A1HPGDMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL4289621 0.85 LMNA (0.48) KDM4EALDH1A1LMNATDP1MEN1
Hydrochloric Acid SCHEMBL4291908 0.82 HPGD (0.44) ALDH1A1LMNAHPGDHSD17B10KMT2A
SCHEMBL4281203 0.82 HIF1A (0.43) ALDH1A1LMNAHPGDMEN1KMT2A

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 2 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-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 KDM4E 760/4885ALDH1A1 388/4885HTR1B 3383/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885HTR1B 3383/4885

“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.