SCHEMBL9305060

SCHEMBL9305060

Clc1ccc2nc(Br)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
HTR3A P46098 1/20 0.61
BACE1 P56817 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PSMB8 P28062 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
FTO Q9C0B1 1/20 0.54

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
SCHEMBL9305046 0.84 F7 (0.44) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL1748354 0.79 ALDH1A1 (0.66) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL29770331 0.76 ALDH1A1 (0.61) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL2105330 0.76 ALDH1A1 (0.61) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL2884316 0.76 ALDH1A1 (1.00) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL9306275 0.76 ALDH1A1 (0.61) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL6630362 0.76 ALDH1A1 (0.61) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL9305169 0.76 KMT2A (0.58) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL658809 0.76 HTR3E (1.00) ALDH1A1HTR3EHTR3BHTR3ABACE1
SCHEMBL22962342 0.76 HPGD (0.70) ALDH1A1HTR3EHTR3BHTR3ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4585596-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Yingli Pharmaceutical Co., Ltd (CN) 2025-07-16 EP disclosed
CN-118209665-A High-efficiency liquid phase detection method for equine ribavirin 南京海纳医药科技股份有限公司 2024-06-18 CN disclosed
CN-118209665-A High-efficiency liquid phase detection method for equine ribavirin 南京海纳医药科技股份有限公司 2024-06-18 CN disclosed
US-20240158408-A1 Nitrogen-Containing Heterocyclic Compound, Pharmaceutical Compositions thereof and Use thereof 280 BIO, INC. (US) 2024-05-16 US disclosed
WO-2024051784-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海璎黎药业有限公司 2024-03-14 WO disclosed
CN-117683036-A Nitrogen-containing heterocyclic compound, pharmaceutical composition and application thereof 上海璎黎药业有限公司 2024-03-12 CN disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US 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-20240158408-A1 Nitrogen-Containing Heterocyclic Compound, Pharmaceutical Compositions thereof and Use thereof MTOR, AKT1, AKT2 ALDH1A1 3381/4885HTR3E 1886/4885HTR3B 1325/4885

“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.