SCHEMBL4489559

SCHEMBL4489559

CC(C(=O)O)n1nc(Br)n(Cc2cccc(F)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
FPR1 P21462 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 6/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
ROCK2 O75116 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
FEN1 P39748 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL4496584 0.81 CASR (0.49) LMNAGLAALDH1A1HPGDKDM4E
SCHEMBL14351383 0.80 PTGDR2 (0.47) LMNAGLAMAPTROCK2FEN1
SCHEMBL4505317 0.79 L3MBTL1 (0.45) LMNAFPR1ALDH1A1KDM4EHSD17B10
SCHEMBL8233081 0.77 LMNA (0.46) LMNAGLAFPR1ALDH1A1PKM
SCHEMBL4500643 0.76 GRIN1 (0.43) LMNAGLAMAPTROCK2L3MBTL1
SCHEMBL3981770 0.66 IDO1 (0.46) ALDH1A1HPGDKDM4EPKMHSD17B10
SCHEMBL3527401 0.65 MEN1 (0.54) LMNAGLAALDH1A1HPGDKDM4E
SCHEMBL25275352 0.64 GSK3B (0.50) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL11806475 0.64 SLC1A1 (0.60) SLC1A1
SCHEMBL14640308 0.64 SLC1A1 (0.60) SLC1A1

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-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 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 (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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B LMNA 2681/4885GLA 3799/4885FPR1 1111/4885

“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.