SCHEMBL14073519

SCHEMBL14073519

O=C(Cc1cccs1)Nc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MEN1 O00255 8/20 0.51
▸ POLB P06746 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ ESR1 P03372 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ TRPV1 Q8NER1 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NSD2 O96028 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
SCHEMBL14073740 0.91 NSD2 (0.56) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL14073196 0.83 HPGD (0.64) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL14073095 0.82 MAPT (0.60) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL14073517 0.82 KMT2A (0.64) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL27652513 0.80 MAPT (0.62) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL4576855 0.80 ALDH1A1 (0.62) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL12766967 0.78 IKBKB (0.46) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL14073604 0.78 ROCK2 (0.60) KMT2AALDH1A1MAPTMEN1TRPV1
SCHEMBL14073688 0.77 PARP1 (0.54) KMT2AALDH1A1MAPTPOLBTRPV1
SCHEMBL14073607 0.77 MAPT (0.54) KMT2AALDH1A1MAPTMEN1POLB

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 KMT2A 2900/4885ALDH1A1 714/4885MAPT 3986/4885

“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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