SCHEMBL14073538

SCHEMBL14073538

O=C1COc2ccc(NC(=O)c3c[nH]c4ccccc34)cc2N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.68
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ CFTR P13569 8/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ GABRA1 P14867 1/20 0.51
▸ GABRB1 P18505 1/20 0.51
▸ GABRA5 P31644 1/20 0.51
▸ GABRA3 P34903 1/20 0.51
▸ GABRA2 P47869 1/20 0.51
▸ GABRB2 P47870 1/20 0.51
▸ GABRA4 P48169 1/20 0.51
▸ GABRA6 Q16445 1/20 0.51
▸ TRPV1 Q8NER1 4/20 0.50
▸ MAOB P27338 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MALT1 Q9UDY8 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL14073754 0.92 KMT2A (0.56) KMT2ACFTRNPC1RAB9AGABRA1
SCHEMBL14073587 0.86 KMT2A (0.67) KMT2AALDH1A1MAPTCFTRGABRA1
SCHEMBL14073229 0.83 TSHR (0.57) KMT2AALDH1A1NPC1RAB9AGABRA1
SCHEMBL14073539 0.82 KMT2A (0.53) KMT2AALDH1A1MAPTTRPV1MEN1
SCHEMBL28363411 0.80 NPC1 (0.79) KMT2AALDH1A1MAPTCFTRNPC1
SCHEMBL30448265 0.80 NPC1 (0.79) KMT2AALDH1A1MAPTCFTRNPC1
SCHEMBL14073580 0.79 KMT2A (0.66) KMT2AALDH1A1MAPTTRPV1POLB
SCHEMBL14073583 0.78 KMT2A (0.64) KMT2AALDH1A1MAPTTRPV1POLB
SCHEMBL14073821 0.78 KMT2A (0.55) KMT2AALDH1A1MAPTCFTRGABRA1
SCHEMBL14073528 0.77 KMT2A (0.63) KMT2AALDH1A1MAPTNPC1RAB9A

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 2900/4885ALDH1A1 714/4885MAPT 3986/4885

“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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