SCHEMBL4777972

SCHEMBL4777972

CN1C=Cc2c(N)cccc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.34
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
HTR3A P46098 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
SLC6A3 Q01959 3/20 0.30
RGS12 O14924 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
Iodide SCHEMBL7792123 0.98 ADRA2C (0.33) ADRA2CLMNAKDM4EMEN1ALDH1A1
SCHEMBL9332451 0.78 DRD2 (0.37) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL16620627 0.78 MAOA (0.31) MAOAMAOB
Iodide SCHEMBL10579862 0.76 DRD2 (0.36) MEN1ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL9332348 0.74 HTR2A (0.36) KDM4EALDH1A1CYP3A4TSHRCYP1A2
Iodide SCHEMBL9594267 0.74
SCHEMBL11882666 0.74 DRD2 (0.35)
SCHEMBL5077566 0.74 HDAC3 (0.32)
SCHEMBL23346756 0.70 SLC6A2 (0.36) ADRA2CLMNAMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL11734144 0.70 TDP1 (0.41) LMNAMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102351774-B Preparation method for indole-4-formaldehyde CHANGZHOU SUNLIGHT PHARM CO LTD 2014-03-26 CN claimed
CN-102351774-A Preparation method for indole-4-formaldehyde CHANGZHOU SUNLIGHT PHARM CO LTD 2012-02-15 CN claimed
EP-4272832-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. (US) 2023-11-08 EP disclosed
US-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2021-05-13 US disclosed
CN-102351774-B Preparation method for indole-4-formaldehyde CHANGZHOU SUNLIGHT PHARM CO LTD 2014-03-26 CN disclosed
CN-102351774-A Preparation method for indole-4-formaldehyde CHANGZHOU SUNLIGHT PHARM CO LTD 2012-02-15 CN disclosed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed
CN-1255917-A Anti-convulsant isoquinolyl-benzamide derivatives SMITHKLINE BEECHAM PLC (GB) 2000-06-07 CN disclosed
EP-0315997-B1 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA (JP) 1994-04-20 EP disclosed
US-5028601-A Substituted with an amino thiazole group and a dihydroxy-pyridone group MEIJI SAIKA KAISHA, LTD. (JP) 1991-07-02 US disclosed
US-4971961-A ANTIBIOTICS AS BACTERICIDES AGAINST PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 1990-11-20 US disclosed
EP-0315997-A2 Cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1989-05-17 EP disclosed
EP-0289002-A2 Novel cephalosporin compounds and antibacterial agents MEIJI SEIKA KAISHA LTD. (JP) 1988-11-02 EP 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 (1 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-20210139522-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CFTR, ABCB11, CEL ADRA2C 2831/4885LMNA 3395/4885KDM4E 4745/4885

“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.