SCHEMBL14073741

SCHEMBL14073741

O=C1COc2cc(NC(=O)c3ccsc3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.57
▸ CYP19A1 P11511 3/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ MAPK14 Q16539 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ KIF11 P52732 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GRIN2D O15399 1/20 0.43

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
SCHEMBL14073522 0.91 KMT2A (0.60) CYP3A4CYP19A1CYP2C9MAPK14ALDH1A1
SCHEMBL30444601 0.83 KMT2A (0.62) CYP3A4CYP19A1CYP2C9MAPK14ALDH1A1
SCHEMBL14073692 0.82 ALDH1A1 (0.72) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL14073778 0.81 CYP3A4 (0.61) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL14073742 0.81 RAB9A (0.64) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL14073845 0.80 CYP3A4 (0.82) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL14073031 0.80 ALDH1A1 (0.69) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL14073934 0.80 ROCK2 (0.57) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL14073735 0.79 KMT2A (0.61) CYP3A4CYP19A1CYP2C9ALDH1A1MAPT
SCHEMBL24508699 0.79 CYP3A4 (0.54) CYP3A4CYP19A1CYP2C9MAPK14ALDH1A1

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 CYP3A4 376/4885CYP19A1 651/4885CYP2C9 373/4885

“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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