SCHEMBL4403701

SCHEMBL4403701

CC(C)c1nnnn1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 7/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4407871 0.80 ALDH1A1 (0.36) ALDH1A1TSHRNPSR1LMNAHTT
SCHEMBL4411357 0.80 ALDH1A1 (0.36) ALDH1A1TSHRPOLB
SCHEMBL4416352 0.77 ALDH1A1 (0.34) ALDH1A1TSHRPOLB
SCHEMBL24087862 0.71
SCHEMBL4407900 0.69
SCHEMBL4405753 0.68 ALDH1A1 (0.49) ALDH1A1TSHRGAANPSR1LMNA
SCHEMBL13225895 0.68 KMT2A (0.48) ALDH1A1TSHRGAANPSR1MEN1
SCHEMBL10244855 0.67 ALDH1A1 (0.39) ALDH1A1NPSR1LMNA
SCHEMBL4405820 0.67 ALDH1A1 (0.39) ALDH1A1TSHRNPSR1LMNA
SCHEMBL4413253 0.67 ALDH1A1 (0.39) ALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-06-22 US disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7282588-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM (US) 2007-10-16 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 (7 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP ALDH1A1 3311/4885TSHR 2353/4885GAA 583/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM ALDH1A1 1376/4885TSHR 4722/4885GAA 1783/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP ALDH1A1 3311/4885TSHR 2353/4885GAA 583/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB ALDH1A1 1924/4885TSHR 2603/4885GAA 1981/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 ALDH1A1 3229/4885TSHR 2325/4885GAA 512/4885
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF CACNA1B, CACNG3, CACNA1C ALDH1A1 3348/4885TSHR 4833/4885GAA 3778/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 ALDH1A1 3229/4885TSHR 2325/4885GAA 512/4885

“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.