SCHEMBL14073539

SCHEMBL14073539

O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HTT P42858 1/20 0.53
▸ HRH3 Q9Y5N1 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TRPV1 Q8NER1 3/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ANO1 Q5XXA6 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ PARP1 P09874 1/20 0.47

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
SCHEMBL14073761 0.92 MAPT (0.53) KMT2AMAPTALDH1A1HTTHRH3
SCHEMBL14073235 0.86 HTT (0.69) KMT2AMAPTALDH1A1HTTMEN1
SCHEMBL14073538 0.82 KMT2A (0.68) KMT2AMAPTALDH1A1MEN1TRPV1
SCHEMBL14073632 0.80 MAPT (0.56) KMT2AMAPTALDH1A1HTTMEN1
SCHEMBL14073667 0.79 KDM4E (0.60) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL14073095 0.78 MAPT (0.60) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL14073519 0.76 KMT2A (0.55) KMT2AMAPTALDH1A1HTTMEN1
SCHEMBL4576855 0.76 ALDH1A1 (0.62) KMT2AMAPTALDH1A1HTTMEN1
SCHEMBL14073229 0.75 TSHR (0.57) KMT2AALDH1A1HTTMEN1PARP1
SCHEMBL14073754 0.74 KMT2A (0.56) KMT2AHRH3MEN1TRPV1CYP1A2

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 KMT2A 2900/4885MAPT 3986/4885ALDH1A1 714/4885

“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.

Send feedback