SCHEMBL14072995

SCHEMBL14072995

O=C1COc2cc(C(=O)N3CCCCC3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
TSHR P16473 2/20 0.57
RECQL P46063 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 5/20 0.55
NR3C2 P08235 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR1 P21554 1/20 0.49
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL14072961 0.90 NR3C2 (0.61) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL6415562 0.88 HPGD (0.58) HPGDTSHRRECQLALDH1A1NR3C2
SCHEMBL14073003 0.87 HPGD (0.57) HPGDTSHRALDH1A1NR3C2HSD17B10
SCHEMBL30541709 0.81 MGLL (0.54) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL21061731 0.81 MGLL (0.54) HPGDTSHRRECQLCYP1A2CYP3A4
SCHEMBL941445 0.79 GAA (0.56) ALDH1A1NR3C2PKMLMNAMAPT
SCHEMBL532062 0.78 NR3C2 (0.61) HPGDALDH1A1NR3C2CNR1PKM
SCHEMBL7349545 0.77 ALDH1A1 (0.52) ALDH1A1PKMLMNAMAPTGAA
SCHEMBL3283784 0.77 ALDH1A1 (0.56) TSHRALDH1A1PKMLMNAMAPT
SCHEMBL22226795 0.77 HPGD (0.66) HPGDTSHRRECQLCYP1A2CYP3A4

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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 HPGD 89/4885TSHR 4343/4885RECQL 4432/4885

“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.