SCHEMBL14073742

SCHEMBL14073742

O=C(Cc1ccsc1)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.64
▸ PKM P14618 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ CYP19A1 P11511 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL14073688 0.83 PARP1 (0.54) KMT2ATRPV1GRIN2DGRIN3BGRIN1
SCHEMBL14073740 0.81 NSD2 (0.56) RAB9AL3MBTL1KMT2ANPC1SMN1; SMN2
SCHEMBL14073741 0.81 CYP3A4 (0.57) RAB9APKML3MBTL1KMT2ANPC1
SCHEMBL4577333 0.79 ALDH1A1 (0.57) RAB9AKMT2ANPC1SMN1; SMN2TRPV1
SCHEMBL14073866 0.79 ROCK2 (0.63) CYP3A4CYP19A1CYP2C9CYP1A2CYP2D6
SCHEMBL14073212 0.77 PKM (0.59) RAB9APKML3MBTL1KMT2ACYP3A4
SCHEMBL14073095 0.77 MAPT (0.60) KMT2ATRPV1CYP2C9CYP1A2CYP2C19
SCHEMBL14073861 0.75 CYP3A4 (0.48) RAB9AKMT2ATRPV1GRIN2DGRIN3B
SCHEMBL14073718 0.75 TRPV1 (0.53) KMT2ATRPV1GRIN2DGRIN3BGRIN1
SCHEMBL4578101 0.74 TRPV1 (0.56) PKMKMT2ATRPV1GRIN2DGRIN3B

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 2232/4885PKM 2975/4885L3MBTL1 4791/4885

“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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