SCHEMBL312677

SCHEMBL312677

COc1ccc(C(C)=O)c(N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
HPGD P15428 5/20 0.65
CYP3A4 P08684 3/20 0.65
MAPK1 P28482 1/20 0.65
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
THRB P10828 2/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 2/20 0.52
MAOB P27338 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL29976235 1.00 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1MAPT
Hydrochloric Acid SCHEMBL30735974 0.98 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1MAPT
Hydrochloric Acid SCHEMBL354001 0.98 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL9929149 0.86 NPC1 (0.63) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL148855 0.85 ALDH1A1 (0.53) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL147211 0.85 SMN1; SMN2 (0.54) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL29923727 0.85 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL632502 0.85 ALDH1A1 (0.59) ALDH1A1HPGDCYP3A4MAPK1MAPT
Hydrochloric Acid SCHEMBL30735953 0.83 ALDH1A1 (0.58) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL858839 0.83 ALDH1A1 (0.66) ALDH1A1HPGDCYP3A4MAPK1MAPT

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 260 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324761-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2024-07-12 CN disclosed
WO-2024121632-A1 USE OF ANTI-CD117 ANTIBODY DRUG CONJUGATE (ADC) CRISPR THERAPEUTICS AG (CH) 2024-06-13 WO disclosed
US-20240139125-A1 BI-1 ANTAGONISTS AND THEIR USES INDUSTRIAL COOPERATION FOUNDATION JEONBUK NATIONAL UNIVERSITY (KR) 2024-05-02 US disclosed
WO-2024064771-A1 ANTI-CD45-IGN ANTIBODY DRUG CONJUGATES AND USES THEREOF VOR BIOPHARMA INC. (US) 2024-03-28 WO disclosed
WO-2024059237-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2024-03-21 WO 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-2023225336-A1 MET 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-01-01 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
US-6608027-B1 Macrocyclic small peptides of low molecular weight that are inhibitory to NS3 protease of hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2003-08-19 US disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
EP-1169339-A1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-09 EP disclosed
WO-2000059929-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-10-12 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 (5 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-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 ALDH1A1 576/4885HPGD 1330/4885CYP3A4 1124/4885
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 ALDH1A1 1567/4885HPGD 308/4885CYP3A4 3752/4885
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus VIP, FURIN, RNASE1 ALDH1A1 1770/4885HPGD 2358/4885CYP3A4 445/4885
US-20240139125-A1 BI-1 ANTAGONISTS AND THEIR USES TMBIM6, RPS6KB1, RACK1 ALDH1A1 4543/4885HPGD 4547/4885CYP3A4 4655/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP ALDH1A1 2672/4885HPGD 3503/4885CYP3A4 2730/4885

“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.