SCHEMBL14072385

SCHEMBL14072385

CC(C)N1C=Nc2ccc(C(C)(C)C)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14072386 0.71 ALDH1A1 (0.31) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2609999 0.68 ALDH1A1 (0.36) MEN1KMT2AHRH3ALDH1A1HPGD
SCHEMBL14072353 0.68 ALDH1A1 (0.33) NPSR1MEN1KMT2AALDH1A1HPGD
SCHEMBL14072401 0.67 TMEM97 (0.40) MEN1KMT2AHRH3ALDH1A1HPGD
SCHEMBL19910555 0.65 NR1H3 (0.34) HRH3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL22400019 0.65 BMPR1B (0.47) MEN1POLBKMT2AHRH3ALDH1A1
SCHEMBL23594623 0.62 HRH3 (0.40) HRH3
SCHEMBL24478509 0.62 HRH3 (0.46) MEN1KMT2AHRH3ALDH1A1
SCHEMBL19910558 0.61 CYP3A4 (0.39) HRH3ALDH1A1HPGDALOX15HSD17B10
SCHEMBL14072402 0.61 NPC1 (0.44) POLBALDH1A1

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-20080221094-A1 Metalloprotease inhibitors containing a squaramide 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 (2 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 NPSR1 1482/4885MEN1 1893/4885POLB 2906/4885
US-20080221094-A1 Metalloprotease inhibitors containing a squaramide moiety MMP13, MMP14, MMP11 NPSR1 1508/4885MEN1 2850/4885POLB 2335/4885

“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.