SCHEMBL951629

SCHEMBL951629

Cc1c(Cl)ccc2c1NC(=O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 12/20 1.00
DAO P14920 2/20 0.56
NSD2 O96028 1/20 0.56
BCHE P06276 1/20 0.56
DNMT1 P26358 1/20 0.47
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
LIG1 P18858 1/20 0.40
TGM2 P21980 1/20 0.39
CASP3 P42574 1/20 0.36
CASP2 P42575 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALKBH3 Q96Q83 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
Isatin SCHEMBL18301370 0.87 CES1 (0.77) CES1DAONSD2BCHETGM2
SCHEMBL1248801 0.80 CES1 (1.00) CES1DAONSD2BCHEDNMT1
SCHEMBL2892415 0.80 CES1 (0.67) CES1DAONSD2BCHEDNMT1
SCHEMBL6315804 0.78 CES1 (0.63) CES1DAONSD2BCHEDNMT1
SCHEMBL11029570 0.78 CES1 (0.63) CES1DAONSD2BCHEDNMT1
SCHEMBL14358786 0.77 CES1 (0.67) CES1DAONSD2BCHEDNMT1
SCHEMBL29689346 0.77 CES1 (0.62) CES1DAONSD2BCHEDNMT1
SCHEMBL3080757 0.77 CES1 (0.67) CES1DAONSD2BCHEDNMT1
SCHEMBL1092103 0.77 CES1 (0.62) CES1DAONSD2BCHEDNMT1
SCHEMBL30441928 0.77 CES1 (0.67) CES1DAONSD2BCHEDNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 CN claimed
US-12180159-B2 Activators of the unfolded protein response THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-12-31 US disclosed
CN-113912609-B Preparation method of natural alkaloid tryptanthrin and derivatives thereof 江苏大学 2024-01-05 CN disclosed
US-11584718-B2 Activators of the unfolded protein response THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-02-21 US disclosed
US-11174267-B2 Spiroindolinones and therapeutic uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-16 US disclosed
WO-2021222738-A1 COMPOUNDS FOR ESTROGEN RECEPTOR POSITIVE CANCERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-11-04 WO disclosed
US-20210340100-A1 ACTIVATORS OF THE UNFOLDED PROTEIN RESPONSE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-11-04 US disclosed
US-20210276951-A1 ACTIVATORS OF THE UNFOLDED PROTEIN RESPONSE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-09-09 US disclosed
US-20210276951-A1 ACTIVATORS OF THE UNFOLDED PROTEIN RESPONSE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-09-09 US disclosed
US-11046647-B2 Activators of the unfolded protein response THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-06-29 US disclosed
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-12-29 US disclosed
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US disclosed
WO-2005097107-A2 DIPHENYL - INDOL-2-ON COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER TOPOTARGET A/S (DK) 2005-10-20 WO disclosed
WO-2005097107-A2 DIPHENYL - INDOL-2-ON COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER TOPOTARGET A/S (DK) 2005-10-20 WO disclosed
EP-1135123-B1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH AS (DK) 2004-12-29 EP disclosed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US disclosed
US-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia OSI PHARMACEUTICALS, INC. 2002-03-07 US disclosed
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2002-02-07 US disclosed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 EP disclosed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 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 (10 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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CES1 2434/4885DAO 4805/4885NSD2 2023/4885
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation COXFA4L2, CYP2F1, ABCG2 CES1 3440/4885DAO 620/4885NSD2 2732/4885
US-11584718-B2 Activators of the unfolded protein response HSPA5, DDIT3, XBP1 CES1 2444/4885DAO 3918/4885NSD2 2905/4885
US-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia TP53, MYC, VHL CES1 2936/4885DAO 3875/4885NSD2 509/4885
US-11046647-B2 Activators of the unfolded protein response HSPA5, DDIT3, XBP1 CES1 2444/4885DAO 3918/4885NSD2 2905/4885
US-20210276951-A1 ACTIVATORS OF THE UNFOLDED PROTEIN RESPONSE HSPA5, DDIT3, XBP1 CES1 2444/4885DAO 3918/4885NSD2 2905/4885
US-11174267-B2 Spiroindolinones and therapeutic uses thereof SORD, SDHA, CYP11B2 CES1 2969/4885DAO 1839/4885NSD2 2771/4885
US-20210340100-A1 ACTIVATORS OF THE UNFOLDED PROTEIN RESPONSE HSPA5, DDIT3, XBP1 CES1 2444/4885DAO 3918/4885NSD2 2905/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CES1 2526/4885DAO 4786/4885NSD2 2104/4885
US-12180159-B2 Activators of the unfolded protein response HSPA5, DDIT3, XBP1 CES1 2444/4885DAO 3918/4885NSD2 2905/4885

“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.