SCHEMBL14073628

SCHEMBL14073628

O=C1COc2ccc(NC(=O)c3cc4sccc4s3)cc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLK2 Q86UE8 2/20 0.66
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ POLB P06746 1/20 0.50
▸ TRPV1 Q8NER1 9/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 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
SCHEMBL14073908 0.92 TLK2 (0.69) TLK2KMT2AALDH1A1MAPTPOLB
SCHEMBL14073380 0.82 TSHR (0.56) TLK2KMT2AALDH1A1HDAC3HDAC4
SCHEMBL14073517 0.82 KMT2A (0.64) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL8192718 0.77 ALDH1A1 (0.77) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL14073454 0.76 KMT2A (0.64) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL14073522 0.76 KMT2A (0.60) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL14073031 0.74 ALDH1A1 (0.69) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL14073735 0.73 KMT2A (0.61) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL14073572 0.73 KMT2A (0.63) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL14073627 0.72 NPC1 (0.60) KMT2AALDH1A1MAPTPOLBTRPV1

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 TLK2 3967/4885KMT2A 2900/4885ALDH1A1 714/4885

“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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