SCHEMBL14073754

SCHEMBL14073754

O=C1COc2cc(NC(=O)c3c[nH]c4ccccc34)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP19A1 P11511 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ CFTR P13569 11/20 0.51
▸ 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
▸ MAOB P27338 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 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
SCHEMBL14073538 0.92 KMT2A (0.68) KMT2ACYP2C9NPC1RAB9ACFTR
SCHEMBL14073821 0.86 KMT2A (0.55) KMT2ACYP3A4CYP19A1CYP2C9CFTR
SCHEMBL14073761 0.82 MAPT (0.53) KMT2ACYP3A4CYP19A1CYP2C9HRH3
SCHEMBL30448265 0.80 NPC1 (0.79) KMT2ACYP3A4CYP2C9NPC1RAB9A
SCHEMBL28363411 0.80 NPC1 (0.79) KMT2ACYP3A4CYP2C9NPC1RAB9A
SCHEMBL30444601 0.79 KMT2A (0.62) KMT2ACYP3A4CYP19A1CYP2C9NPC1
SCHEMBL14073807 0.79 KMT2A (0.54) KMT2ACYP3A4CYP19A1CYP2C9NPC1
SCHEMBL14073587 0.78 KMT2A (0.67) KMT2ACYP3A4CYP2C9CFTRGABRA1
SCHEMBL14073749 0.77 NPC1 (0.55) KMT2ACYP3A4CYP19A1CYP2C9NPC1
SCHEMBL14073229 0.77 TSHR (0.57) KMT2ANPC1RAB9AGABRA1GABRB1

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 2900/4885CYP3A4 376/4885CYP19A1 651/4885

“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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