SCHEMBL5437254

SCHEMBL5437254

Cn1cc(C=O)c2cc(Br)ccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 2/20 0.66
IMPDH2 P12268 1/20 0.59
ABCC2 Q92887 1/20 0.48
KDR P35968 1/20 0.46
CYP2A6 P11509 2/20 0.44
ERN1 O75460 1/20 0.42
PTPN1 P18031 1/20 0.41
KRAS P01116 1/20 0.40
GSK3B P49841 2/20 0.39
CYP19A1 P11511 1/20 0.39
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PDK1 Q15118 1/20 0.37
CAMK2D Q13557 1/20 0.37

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
SCHEMBL16502064 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EIMPDH2ABCC2KDR
SCHEMBL30995729 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EIMPDH2KDRGSK3B
SCHEMBL2275437 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EIMPDH2KDRGSK3B
SCHEMBL13363658 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2ABCC2GSK3B
SCHEMBL1092202 0.79 ALDH1A1 (1.00) ALDH1A1KDM4EIMPDH2KDRPTPN1
SCHEMBL13108788 0.79 CYP2A6 (0.44) ALDH1A1KDM4EIMPDH2ABCC2KDR
SCHEMBL1450678 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2ABCC2
SCHEMBL1093666 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EIMPDH2KDRERN1
SCHEMBL671605 0.79 PDE4B (0.46) ALDH1A1KDM4EIMPDH2ABCC2CYP2A6
SCHEMBL22122327 0.79 GAA (0.52) ALDH1A1KDM4EABCC2CYP2A6ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN claimed
US-20250177538-A1 Methods for synthesizing deuterated formylindoles ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-06-05 US disclosed
WO-2023250348-A2 METHODS FOR SYNTHESIZING DEUTERATED FORMYLINDOLES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-12-28 WO disclosed
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN disclosed
CN-116574048-A Bromination reaction method of remote indole C-H bond by using sunlight catalysis 陕西科技大学 2023-08-11 CN disclosed
CN-116444523-A Compounds as SMARCA2 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-07-18 CN disclosed
CN-112921346-B Electrochemical synthesis method of 3-formyl indole derivative 浙江工业大学 2022-07-08 CN disclosed
CN-109912576-B Cyclic or spirocyclic diamine pyrimidine-hydroxamic acids and their use 华东理工大学 2021-11-19 CN disclosed
CN-112921346-A Electrochemical synthesis method of 3-formyl indole derivative 浙江工业大学 2021-06-08 CN disclosed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
WO-2013095305-A1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-06-27 WO disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed
US-20090105162-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES RYBCZYNSKI PHILIP 2009-04-23 US disclosed
US-7482330-B2 Substituted fused heterocyclic C-glycosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-27 US disclosed
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
CN-1906169-A Therapeutic agents I ASTRAZENECA AB (SE) 2007-01-31 CN 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-20250177538-A1 Methods for synthesizing deuterated formylindoles TDO2, CISD2, ALAD ALDH1A1 2258/4885KDM4E 2663/4885IMPDH2 1051/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 ALDH1A1 469/4885KDM4E 1419/4885IMPDH2 2449/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 ALDH1A1 1661/4885KDM4E 2659/4885IMPDH2 4318/4885
US-20090105162-A1 SUBSTITUTED FUSED HETEROCYCLIC C-GLYCOSIDES UGCG, UGGT1, GCG ALDH1A1 3466/4885KDM4E 3904/4885IMPDH2 3750/4885

“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.