SCHEMBL14073886

SCHEMBL14073886

O=C1COc2cc(NC(=O)c3ccc4ncccc4c3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.55
▸ CYP19A1 P11511 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ HSF1 Q00613 1/20 0.55
▸ CYP2C9 P11712 2/20 0.53
▸ PABPC1 P11940 1/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL14073608 0.92 MAPT (0.57) CYP3A4CYP19A1CYP1A2HSF1PABPC1
SCHEMBL22284873 0.88 CYP3A4 (0.58) CYP3A4CYP19A1CYP1A2HSF1CYP2C9
SCHEMBL14073935 0.88 MAPT (0.64) CYP3A4CYP19A1CYP1A2CYP2C9NPC1
SCHEMBL14073802 0.87 CYP3A4 (0.56) CYP3A4CYP19A1CYP1A2CYP2C9NPC1
SCHEMBL14073885 0.82 KMT2A (0.55) CYP3A4CYP19A1CYP1A2CYP2C9NPC1
SCHEMBL14073931 0.81 CYP3A4 (0.56) CYP3A4CYP19A1CYP1A2CYP2C9NPC1
SCHEMBL14073692 0.81 ALDH1A1 (0.72) CYP3A4CYP19A1CYP1A2CYP2C9NPC1
SCHEMBL14073783 0.80 CYP3A4 (0.70) CYP3A4CYP19A1CYP1A2CYP2C9NPC1
SCHEMBL14073902 0.80 RAB9A (0.60) CYP3A4CYP19A1CYP1A2CYP2C9NPC1
SCHEMBL14073772 0.80 NPC1 (0.61) CYP3A4CYP19A1CYP1A2CYP2C9NPC1

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 651/4885CYP1A2 415/4885

“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.

Send feedback