SCHEMBL337458

SCHEMBL337458

O=Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 1/20 0.58
HTR1A P08908 5/20 0.56
CYP2A6 P11509 2/20 0.56
IMPDH2 P12268 1/20 0.56
CHRNA7 P36544 1/20 0.56
HTR2C P28335 5/20 0.55
NPSR1 Q6W5P4 3/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
RRM1 P23921 1/20 0.49
HTR1D P28221 2/20 0.48
NR4A1 P22736 1/20 0.47
PLG P00747 1/20 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
SCHEMBL29958258 0.85 CYP2A6 (0.64) ALDH1A1CYP1A2CYP2C19HTR1ACYP2A6
SCHEMBL15324073 0.85 CYP2A6 (0.64) ALDH1A1CYP1A2CYP2C19HTR1ACYP2A6
SCHEMBL12680440 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19HTR1ACYP2A6
SCHEMBL12478488 0.81 HTR1A (0.56) ALDH1A1CYP1A2CYP2C19HTR1ACHRNA7
SCHEMBL29954011 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL14216347 0.80 TSHR (0.45) ALDH1A1CYP1A2HTR1ACYP2A6CHRNA7
SCHEMBL9732710 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2HTR1ACHRNA7HTR2C
SCHEMBL208051 0.78 CAPN1 (0.59) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2
SCHEMBL351715 0.78 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19HTR1ACYP2A6
SCHEMBL671217 0.78 CYP2A6 (0.74) ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801052-B Indolylguanidine compound containing aromatic acid ester, and preparation method and application thereof 西安交通大学 2023-06-27 CN claimed
CN-113845464-B Indolyl guanidine compound and preparation method and application thereof 西安交通大学 2023-05-02 CN claimed
CN-114981247-A Piperazine compounds for inhibiting CPS1 卫材R&D管理有限公司 2022-08-30 CN claimed
CN-113845464-A Indolylguanidine compound and preparation method and application thereof 西安交通大学 2021-12-28 CN claimed
CN-113801052-A Indole guanidine compound containing aromatic acid ester and preparation method and application thereof 西安交通大学 2021-12-17 CN claimed
CN-121378310-A Method for constructing near-infrared one-region boron-dipyrromethene dye conjugate through Knoevenagel condensation reaction 南京理工大学 2026-01-23 CN disclosed
CN-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 CN disclosed
CN-118108661-B Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-09-20 CN disclosed
CN-118125972-B Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-09-20 CN disclosed
CN-118125972-A Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-06-04 CN disclosed
CN-118108661-A Diamine monomer with nitrogen heterocycle and benzocyclobutene structure, and preparation method and application thereof 波米科技有限公司 2024-05-31 CN disclosed
CN-117624062-A Barbiturates structure-containing compound and preparation method and application thereof 武汉大学 2024-03-01 CN disclosed
WO-2014143125-A1 USE OF INDOLE COMPOUNDS FOR FAT REDUCTION AND SKIN AND SOFT TISSUE TIGHTENING ALEVERE MEDICAL CORPORATION (US) 2014-09-18 WO disclosed
CN-102786460-A Synthetic method for indole-3-carboxaldehyde compounds SUZHOU CHUKAI PHARMACEUTICAL CO LTD 2012-11-21 CN disclosed
CN-102627597-A Indole-3-carboxaldehyde isobutyryl hydrazone derivatives and preparation method thereof SHANDONG INST LIGHT INDUSTRY 2012-08-08 CN disclosed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 WO disclosed
WO-2006045120-A2 PURIFICATION OF TEGASEROD MALEATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-04-27 WO disclosed
EP-0505322-A1 Aminoguanidines SANDOZ LTD. (CH) 1992-09-23 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-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist S1PR1, S1PR2, S1PR3 ALDH1A1 2262/4885CYP1A2 2468/4885CYP2C19 2723/4885

“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.