SCHEMBL2944833

SCHEMBL2944833

CC(C)Oc1ccc(N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
MAP4K4 O95819 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
CSNK2A1 P68400 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
ALDH1A3 P47895 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38

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
SCHEMBL10653792 0.84 TP53 (0.45) TSHRPARP10ALDH1A1KMT2ALMNA
SCHEMBL9940526 0.81 NR4A1 (0.56) CYP3A4PARP10ALDH1A1KMT2AMAP4K4
SCHEMBL9255317 0.81 ALDH1A1 (0.47) PARP10ALDH1A1KMT2ALMNAKDM4E
SCHEMBL29732970 0.81 NR4A1 (0.56) CYP3A4PARP10ALDH1A1KMT2AMAP4K4
SCHEMBL12491911 0.80 CYP3A4 (0.45) CYP3A4TSHRALDH1A1MAPK1KMT2A
SCHEMBL16756041 0.78 ALDH1A1 (0.46) CYP3A4TSHRPARP10ALDH1A1KMT2A
SCHEMBL3721647 0.78 LMNA (0.53) CYP3A4PARP10ALDH1A1KMT2ALMNA
SCHEMBL19612249 0.78 CSNK2A1 (0.58) PARP10ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL922966 0.77 ALDH1A1 (0.57) CYP3A4TSHRALDH1A1MAPK1KMT2A
SCHEMBL31530754 0.77 ALDH1A1 (0.47) CYP3A4TSHRALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020232375-A1 OXOACRIDINYL ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. (US) 2020-11-19 WO disclosed
WO-2020232378-A1 BENZO[B][1,8]NAPHTHYRIDINE ACETIC ACID DERIVATIVES AND METHODS OF USE SILICON SWAT, INC. (US) 2020-11-19 WO disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CYP3A4 2589/4885TSHR 4768/4885PARP10 430/4885

“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.