SCHEMBL5456482

SCHEMBL5456482

O=C(CBr)Nc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 3/20 0.68
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HPGD P15428 4/20 0.57
HTT P42858 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.54
G6PD P11413 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
SCHEMBL31146466 1.00 KMT2A (0.68) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL9311985 0.86 KMT2A (0.75) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL29531243 0.86 MAPK1 (0.50) KMT2AMEN1HPGDHTTALDH1A1
SCHEMBL1939816 0.86 MAPK1 (0.50) KMT2AMEN1HPGDHTTALDH1A1
SCHEMBL4010958 0.85 MEN1 (0.77) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL11451542 0.84 MEN1 (0.54) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL8635787 0.83 GABRP (0.57) KMT2AMEN1HPGDHTTCYP1A2
SCHEMBL6072206 0.82 KMT2A (0.70) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL1272337 0.82 KMT2A (0.70) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL4210079 0.82 LMNA (0.64) KMT2AHPGDALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240189289-A1 INHIBITORS OF EPHB3 SIGNALING THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2024-06-13 US disclosed
CN-117003744-A Five-membered and six-membered compound, intermediate, preparation method, composition and application 厦门市博瑞来医药科技有限公司 2023-11-07 CN disclosed
CN-110734417-B 2-butenolide acetamide compound and preparation method and application thereof 南开大学 2022-09-30 CN disclosed
WO-2022187612-A1 INHIBITORS OF EPHB3 SIGNALING THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-09-09 WO disclosed
CN-108276323-B 3-functionalized N (O, S) -heteroandene derivatives and application thereof in respiratory syncytial virus resistance 北京交通大学 2020-12-29 CN disclosed
CN-110734417-A 2-butenolide acetamide compound and preparation method and application thereof 南开大学 2020-01-31 CN disclosed
EP-3210469-A1 USE OF SUBSTITUTED THIO-1,2,4-TRIAZOLES FOR INCREASING STRESS TOLERANCE IN PLANTS Bayer Cropscience AG (DE) 2017-08-30 EP disclosed
CN-107108579-A It is used for the derovatives of 5 [(base of piperazine 1) 3 oxopropyls] imidazolidine 2,4 for treating osteoarthritis as ADAMTS inhibitor 加拉帕戈斯股份有限公司 2017-08-29 CN disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
EP-0507417-B1 Process for the selective reduction of the 4-halogen in 2,4-dihaloanilines DOWELANCO (US) 1995-11-08 EP disclosed
EP-0507417-A2 Process for the selective reduction of the 4-halogen in 2,4-dihaloanilines DOWELANCO (US) 1992-10-07 EP disclosed
US-5089653-A Having amine-protecting groups, such as diacetanilide or succinimide; palladium catalyst; hydrolyzing to deprotect DOW ELANCO (US) 1992-02-18 US disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 KMT2A 3236/4885MEN1 3147/4885NPC1 325/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G KMT2A 3232/4885MEN1 4056/4885NPC1 2407/4885
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A KMT2A 2954/4885MEN1 3255/4885NPC1 2968/4885
US-20240189289-A1 INHIBITORS OF EPHB3 SIGNALING EPHB3, EPHB1, EPHB2 KMT2A 1704/4885MEN1 2938/4885NPC1 2770/4885

“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.