SCHEMBL4412005

SCHEMBL4412005

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 4/20 0.31
LMNA P02545 3/20 0.31
TSHR P16473 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GAA P10253 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
SCHEMBL4403592 0.81 ALDH1A1 (0.37) ALDH1A1HTTMAPT
SCHEMBL4410972 0.81 ALDH1A1 (0.35) ALDH1A1HTTMAPT
SCHEMBL4414658 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4407925 0.78 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4407882 0.78 ALDH1A1 (0.33) ALDH1A1HTTMAPT
SCHEMBL20228151 0.78 ALDH1A1 (0.44) ALDH1A1NPSR1LMNATSHRHTT
SCHEMBL4411129 0.78 ALDH1A1 (0.35) ALDH1A1HTTMAPT
SCHEMBL4409023 0.78
SCHEMBL22472670 0.78 ALDH1A1 (0.42) ALDH1A1NPSR1LMNATSHR
SCHEMBL10244855 0.70 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 US disclosed
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 US disclosed
WO-2023225320-A1 EPHA2 BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-09-07 US disclosed
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates PFIZER INC. (US) 2023-08-01 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
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-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-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-7419988-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORP (US) 2008-09-02 US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US disclosed
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2008-01-03 US 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
US-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC 2007-06-28 US disclosed
US-7169800-B2 Imidazole compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 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 (8 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-20070149561-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB ALDH1A1 1793/4885NPSR1 4140/4885LMNA 3007/4885
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB ALDH1A1 1793/4885NPSR1 4140/4885LMNA 3007/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A ALDH1A1 4520/4885NPSR1 1948/4885LMNA 2681/4885
US-20230279426-A1 MODIFIED VIRAL COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, ASGR1, FCGR3B ALDH1A1 4368/4885NPSR1 2018/4885LMNA 2413/4885
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates SULT1E1, SULT2A1, STS ALDH1A1 2110/4885NPSR1 65/4885LMNA 3646/4885
US-20230192674-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF CACNA1B, CACNG3, CACNA1C ALDH1A1 3348/4885NPSR1 3278/4885LMNA 2245/4885
US-20080004308-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB ALDH1A1 1793/4885NPSR1 4140/4885LMNA 3007/4885
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION M6PR, ASGR1, IGF2R ALDH1A1 3684/4885NPSR1 61/4885LMNA 2133/4885

“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.