SCHEMBL3553669

SCHEMBL3553669

CN(C)CCOc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.74
PDGFRA P16234 7/20 0.74
FLT3 P36888 1/20 0.69
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
SRD5A2 P31213 1/20 0.61
KMT2A Q03164 1/20 0.56
PLA2G4A P47712 1/20 0.52
PIN1 Q13526 1/20 0.51
XDH P47989 1/20 0.49
SMAD3 P84022 1/20 0.49
PRKCE Q02156 1/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PDPK1 O15530 1/20 0.48
LMNA P02545 1/20 0.48

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
Hydrochloric Acid SCHEMBL3559507 0.99 PDGFRB (0.72) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL13853759 0.92 PDGFRB (0.63) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL15223791 0.90 PDGFRB (0.74) PDGFRBPDGFRAFLT3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL22289028 0.88 PDGFRB (0.60) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL12287517 0.86 PDGFRB (0.69) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL12392291 0.86 PDGFRB (0.69) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL5472257 0.85 PDGFRB (0.68) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL6868045 0.85 PDGFRB (1.00) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL1144832 0.85 KDM4E (0.65) PDGFRBPDGFRAFLT3KDM4EALDH1A1
SCHEMBL4369016 0.85 PLA2G4A (0.67) PDGFRBPDGFRAFLT3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105939-A1 Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide PHARMACYCLICS, INC. (US) 2007-05-10 US claimed
US-20250262315-A1 TRIPEPTIDE LINKERS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2025-08-21 US disclosed
CN-113439084-B Sesqui-carcinomycin analogue 奥克兰联合服务有限公司 2025-02-25 CN disclosed
EP-4452292-A2 TRIPEPTIDE LINKERS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-10-30 EP disclosed
CN-118632857-A Tripeptide linkers and methods of use thereof 德克萨斯大学系统董事会 2024-09-10 CN disclosed
WO-2023122587-A2 TRIPEPTIDE LINKERS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-06-29 WO disclosed
EP-3500574-B1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
CN-113439084-A Duocarmycin analogs 奥克兰联合服务有限公司 2021-09-24 CN disclosed
WO-2020154437-A1 GLYCOSIDE-CONTAINING PEPTIDE LINKERS FOR ANTIBODY-DRUG CONJUGATES R.P. SCHERER TECHNOLOGIES, LLC (US) 2020-07-30 WO disclosed
US-10287291-B2 Seco-cyclopropapyrroloindole compounds, antibody-drug conjugates thereof, and methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-14 US disclosed
US-20070105939-A1 Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide PHARMACYCLICS, INC. (US) 2007-05-10 US disclosed
US-20070105939-A1 Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide PHARMACYCLICS, INC. (US) 2007-05-10 US disclosed
US-20070105939-A1 Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide PHARMACYCLICS, INC. (US) 2007-05-10 US disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
EP-1656348-B1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARM INC (US) 2007-02-07 EP disclosed
EP-1656348-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2006-05-17 EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 WO disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 US disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 WO disclosed
WO-2005019174-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS, INC. (US) 2005-03-03 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 (4 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-20250262315-A1 TRIPEPTIDE LINKERS AND METHODS OF USE THEREOF DNPEP, VIP, LNPEP PDGFRB 2969/4885PDGFRA 3214/4885FLT3 133/4885
US-20070105939-A1 Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide HTR5A, HTR2B, HTR2A PDGFRB 208/4885PDGFRA 323/4885FLT3 2371/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 PDGFRB 3829/4885PDGFRA 3581/4885FLT3 3864/4885
US-10287291-B2 Seco-cyclopropapyrroloindole compounds, antibody-drug conjugates thereof, and methods of making and use CD22, GDI2, GDI1 PDGFRB 2694/4885PDGFRA 2208/4885FLT3 3493/4885

“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.