SCHEMBL18878402

SCHEMBL18878402

CC(C)c1cnc(N2CCCCC2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
MDM2 Q00987 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
TP53 P04637 4/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL17483654 0.95 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2MAPTNPSR1
SCHEMBL18878408 0.84 TDP1 (0.57) ALDH1A1MAPTNPSR1RAB9AKMT2A
SCHEMBL15341960 0.83 HRH3 (0.44) ALDH1A1MAPTKDM4ETDP1HDAC3
SCHEMBL6286671 0.83 TDP1 (0.41) ALDH1A1MAPTMEN1RAB9AKMT2A
SCHEMBL12986356 0.83 PRKDC (0.48) GAASMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL22657462 0.79 CHRNA7 (0.36) ALDH1A1SMN1; SMN2MAPTNPSR1HPGD
SCHEMBL16088997 0.77 SMN1; SMN2 (0.43) ALDH1A1GAASMN1; SMN2MAPTL3MBTL1
SCHEMBL20078275 0.76 ALDH1A1 (0.34) ALDH1A1GAASMN1; SMN2MAPTNPSR1
SCHEMBL2305512 0.76 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2MAPTNPSR1
SCHEMBL18888471 0.74 MLYCD (0.34) ALDH1A1GAASMN1; SMN2MAPTNPSR1

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-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 ALDH1A1 4211/4885GAA 4045/4885SMN1; SMN2 3797/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A ALDH1A1 3052/4885GAA 1607/4885SMN1; SMN2 4335/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC ALDH1A1 3413/4885GAA 2178/4885SMN1; SMN2 2995/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 ALDH1A1 3317/4885GAA 3449/4885SMN1; SMN2 4001/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 ALDH1A1 2824/4885GAA 1762/4885SMN1; SMN2 4517/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 ALDH1A1 1655/4885GAA 1538/4885SMN1; SMN2 2805/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC ALDH1A1 3413/4885GAA 2178/4885SMN1; SMN2 2995/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A ALDH1A1 3052/4885GAA 1607/4885SMN1; SMN2 4335/4885

“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.