SCHEMBL6587067

SCHEMBL6587067

COc1cc(Br)ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP4B1 P13584 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP3A5 P20815 1/20 0.50
CYP2A7 P20853 1/20 0.50
CYP3A7 P24462 1/20 0.50
CYP2F1 P24903 1/20 0.50
CYP2C18 P33260 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50

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
SCHEMBL5827764 0.85 NPC1 (0.63) NPC1TSHRRAB9AMAOBLMNA
SCHEMBL6584443 0.82 CYP1A1 (0.67) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL29217040 0.81 SLC6A4 (0.54) TSHRCYP2A6PTGDR2ALDH1A1MAPK1
SCHEMBL5961843 0.80 CYP3A4 (0.53) NPC1TSHRRAB9ACYP1A1CYP1A2
SCHEMBL2659108 0.80 MKNK1 (0.62) NPC1RAB9ACYP1A1CYP1A2CYP3A4
SCHEMBL24049723 0.79 PGR (0.56) NPC1RAB9ACYP1A1CYP1A2CYP2E1
SCHEMBL5632975 0.78 CYP1A1 (0.79) NPC1RAB9ACYP1A1CYP1A2CYP2E1
SCHEMBL8502642 0.78 PGR (0.49) NPC1TSHRRAB9ACYP1A1CYP1A2
SCHEMBL20550345 0.78 CYP1A1 (0.56) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL11962286 0.78 ACHE (0.54) NPC1RAB9ACYP1A1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
CN-113549010-B Preparation and application of compound with AMPK (AMPK) agonistic activity and prodrug thereof 中国科学院上海药物研究所 2023-10-20 CN disclosed
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 CN disclosed
CN-113549010-A Preparation and application of compound with AMPK agonistic activity and prodrug thereof 中国科学院上海药物研究所 2021-10-26 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-102227436-A Macrocyclic compounds as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-10-26 CN disclosed
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 CN disclosed
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
CN-1281433-A Hydroxamic acid derivatives as matrix metalloproteinase (MMP) inhibitors PFIZER LTD (US) 2001-01-24 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 (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-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP NPC1 4280/4885TSHR 2119/4885RAB9A 1854/4885

“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.