SCHEMBL13773552

SCHEMBL13773552

COc1ccc(CN2C[C@H]3N(C(=O)CN3N(C)C(=O)NCc3ccccc3)[C@@H](c3ccccc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CACNA1G O43497 2/20 0.43
▸ CACNA1H O95180 2/20 0.43
▸ CACNA1I Q9P0X4 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ CLPP Q16740 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CCR5 P51681 1/20 0.39

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
SCHEMBL14309433 0.93 CACNA1G (0.41) MEN1KMT2ATSHRCACNA1GCACNA1H
SCHEMBL13773538 0.91 KMT2A (0.39) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL14504752 0.90 CLPP (0.53) MEN1KMT2ACYP3A4CLPP
SCHEMBL14309463 0.90 KMT2A (0.41) MEN1KMT2ATSHRCACNA1GCACNA1H
SCHEMBL14319413 0.90 PDE4A (0.40) MEN1KMT2ACYP3A4CYP2C19RAB9A
SCHEMBL14309871 0.89 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL14309868 0.89 MEN1 (0.51) MEN1KMT2ACYP3A4CACNA1GCACNA1H
SCHEMBL14310175 0.88 CACNA1I (0.42) MEN1KMT2ACYP3A4CACNA1GCACNA1H
SCHEMBL14504312 0.88 ALDH1A1 (0.40) MEN1KMT2ACACNA1GCACNA1HCACNA1I
SCHEMBL13773612 0.88 MEN1 (0.47) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-07-09 — — US disclosed
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-10-02 — — US disclosed
US-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders INSTITUTE FOR CHEMICAL GENOMICS 2008-01-10 — — US disclosed
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells INSTITUTE FOR CHEMICAL GENOMICS 2007-06-07 — — 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 (4 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-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders COL1A1, COL2A1, PLOD3 MEN1 2759/4885KMT2A 4181/4885CYP3A4 4854/4885
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 MEN1 2581/4885KMT2A 3049/4885CYP3A4 1385/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO MEN1 845/4885KMT2A 1448/4885CYP3A4 4586/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 MEN1 2361/4885KMT2A 3224/4885CYP3A4 1580/4885

“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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