SCHEMBL14073902

SCHEMBL14073902

O=C1COc2cc(NC(=O)c3ccc4ncsc4c3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.60
▸ NPC1 O15118 11/20 0.60
▸ KMT2A Q03164 9/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ MEN1 O00255 8/20 0.55
▸ GFER P55789 1/20 0.54
▸ CYP3A4 P08684 3/20 0.53
▸ CYP19A1 P11511 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ POLB P06746 3/20 0.53
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ NAMPT P43490 1/20 0.50
▸ CYP1A2 P05177 2/20 0.49
▸ GAA P10253 1/20 0.47
▸ L3MBTL1 Q9Y468 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
SCHEMBL14073627 0.92 NPC1 (0.60) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL14073935 0.83 MAPT (0.64) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL14073931 0.81 CYP3A4 (0.56) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL14073692 0.81 ALDH1A1 (0.72) RAB9ANPC1KMT2ASMN1; SMN2CYP3A4
SCHEMBL14073886 0.80 CYP3A4 (0.55) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL14073936 0.80 MAPT (0.56) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL14073830 0.79 NPC1 (0.56) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL14073031 0.78 ALDH1A1 (0.69) RAB9ANPC1KMT2ASMN1; SMN2CYP3A4
SCHEMBL14073771 0.78 CYP3A4 (0.60) KMT2ACYP3A4CYP19A1CYP2C9POLB
SCHEMBL14073377 0.78 TSHR (0.63) RAB9ANPC1KMT2ASMN1; SMN2LMNA

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 RAB9A 2232/4885NPC1 2740/4885KMT2A 2900/4885

“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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