SCHEMBL14073761

SCHEMBL14073761

O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HRH3 Q9Y5N1 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HTT P42858 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ ANO1 Q5XXA6 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL14073539 0.92 KMT2A (0.53) MAPTALDH1A1HRH3MEN1LMNA
SCHEMBL14073754 0.82 KMT2A (0.56) HRH3MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14073235 0.80 HTT (0.69) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL14073911 0.80 MAPT (0.56) MAPTALDH1A1LMNAHTTCYP1A2
SCHEMBL14073740 0.76 NSD2 (0.56) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL4577333 0.76 ALDH1A1 (0.57) MAPTALDH1A1LMNAKMT2AHTT
SCHEMBL14073688 0.76 PARP1 (0.54) MAPTALDH1A1LMNAKMT2ACYP1A2
SCHEMBL14073538 0.74 KMT2A (0.68) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14073861 0.74 CYP3A4 (0.48) MAPTALDH1A1LMNAKMT2ACYP1A2
SCHEMBL7807900 0.74 HRH3 (0.67) MAPTALDH1A1HRH3MEN1LMNA

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 MAPT 3986/4885ALDH1A1 714/4885HRH3 2402/4885

“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.

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