SCHEMBL16151415

SCHEMBL16151415

Clc1cnc2ccccc2n1.N[SH](=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 5/20 0.42
PDE10A Q9Y233 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.39
GPR3 P46089 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 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
SCHEMBL222284 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL30731286 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
Hydrogen Sulfide SCHEMBL28270010 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
Sulfamide SCHEMBL28719576 0.85 HTT (0.50) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL28130845 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL6517140 0.81 NPC1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
Biphenyl SCHEMBL28350717 0.80 NPC1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
Sulfanilamide SCHEMBL27528584 0.74 CYP2C9 (0.55) SMN1; SMN2ALDH1A1HTTTDP1KDM4E
SCHEMBL28249610 0.73 CYP2C9 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
Quinoxaline SCHEMBL27732326 0.72 ALDH1A1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021151974-A1 INTERFERING WITH MRNA SPLICING TO ENHANCE RESPONSE TO CHECKPOINT IMMUNOTHERAPIES. STICHTING HET NEDERLANDS KANKER INSTITUUT - ANTONI VAN LEEUWENHOEK ZIEKENHUIS (NL) 2021-08-05 WO disclosed
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2021-01-07 US disclosed
US-10610516-B2 Methods of using (+)- 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-acetylaminoisoindoline-1, 3-dione AMGEN INC. (US) 2020-04-07 US disclosed
EP-3478321-A1 PSEUDOTYPED ONCOLYTIC VIRAL DELIVERY OF THERAPEUTIC POLYPEPTIDES Oncorus, Inc. (US) 2019-05-08 EP disclosed
US-20190000804-A1 METHODS OF USING (+)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE AMGEN INC. 2019-01-03 US disclosed
WO-2018006005-A1 PSEUDOTYPED ONCOLYTIC VIRAL DELIVERY OF THERAPEUTIC POLYPEPTIDES ONCORUS, INC. (US) 2018-01-04 WO disclosed
EP-3258913-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS AND USES THEREOF Mallinckrodt Nuclear Medicine LLC (US) 2017-12-27 EP disclosed
EP-3164420-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2017-05-10 EP disclosed
WO-2016134066-A1 MODIFIED DOCETAXEL LIPOSOME FORMULATIONS AND USES THEREOF MALLINCKRODT LLC (US) 2016-08-25 WO disclosed
WO-2016004043-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF BLEND THERAPEUTICS, INC. (US) 2016-01-07 WO disclosed
WO-2014161037-A1 ANTIBODIES AGAINST HUMAN RYK AND USES THEREFOR PETER MACCALLUM CANCER INSTITUTE (AU) 2014-10-09 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 (3 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-20190000804-A1 METHODS OF USING (+)-2-[1-(3-ETHOXY-4-METHOXYPHENYL)-2-METHYLSULFONYLETHYL]-4-ACETYLAMINOISOINDOLINE-1,3-DIONE PDE4A, PDE2A, PDE4B SMN1; SMN2 2524/4885NPC1 887/4885RAB9A 3428/4885
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN SMN1; SMN2 4291/4885NPC1 4497/4885RAB9A 2430/4885
US-10610516-B2 Methods of using (+)- 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-acetylaminoisoindoline-1, 3-dione PDE4A, PDE2A, PDE4B SMN1; SMN2 2524/4885NPC1 887/4885RAB9A 3428/4885

“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.