SCHEMBL1039601

SCHEMBL1039601

O=C(CBr)Nc1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.76
MEN1 O00255 4/20 0.76
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.54
ALOX12 P18054 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52
TGM1 P22735 1/20 0.52
TGM3 Q08188 1/20 0.52

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
SCHEMBL15267699 0.91 KMT2A (0.60) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL5663326 0.89 KMT2A (0.61) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL16140981 0.86 KMT2A (1.00) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL23088339 0.86 KMT2A (0.74) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL22397597 0.83 KMT2A (0.70) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL7888049 0.83 CYP1A1 (0.60) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL5271791 0.83 KMT2A (0.76) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL6932064 0.81 MAPT (0.59) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL11638641 0.81 SMN1; SMN2 (0.59) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL7445670 0.81 KMT2A (0.73) KMT2AMEN1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951602-B2 Mass defect labeling and methods of use thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-05-31 US claimed
US-20090061523-A1 MASS DEFECT LABELING AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-05 US claimed
US-20240034727-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. 2024-02-01 US disclosed
CN-116963733-A Imidazole compounds as ENPP1 inhibitors 斯汀格瑞治疗股份有限公司 2023-10-27 CN disclosed
EP-4255425-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2023-10-11 EP disclosed
CN-110790724-B Selective carbonic anhydrase inhibitor and synthesis method and application thereof 中山大学 2023-01-31 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-2022119928-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2022-06-09 WO disclosed
WO-2022119928-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2022-06-09 WO disclosed
CN-110790724-A Selective carbonic anhydrase inhibitor and synthesis method and application thereof 中山大学 2020-02-14 CN disclosed
CN-110734417-A 2-butenolide acetamide compound and preparation method and application thereof 南开大学 2020-01-31 CN disclosed
WO-2002092019-A2 HALOGENATED ANTITUBERCULOSIS AGENTS UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2002-11-21 WO disclosed
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS SCIENCES IN PHILADELPHIA, UNIVERSITY OF 2002-11-21 US disclosed
US-6482982-B1 BACTERICIDES; MYCOBACTERIUM RESISTANCE UNIVERSITY OF SCIENCES OF PHILADELPHIA 2002-11-19 US disclosed
WO-2002090443-A1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF [POLY(DA-DT)]2 BINDERS LIGHT UP TECHNOLOGIES AB (SE) 2002-11-14 WO disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN 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
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 (3 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-20240034727-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 ENPP1, PPP1R1B, PPM1B KMT2A 2718/4885MEN1 231/4885HPGD 3519/4885
US-20090061523-A1 MASS DEFECT LABELING AND METHODS OF USE THEREOF PTMS, SPPL2B, NPPA KMT2A 4449/4885MEN1 654/4885HPGD 3828/4885
US-20020173548-A1 HALOGENATED ANTITUBERCULOSIS AGENTS XDH, TST, QSOX1 KMT2A 2746/4885MEN1 4691/4885HPGD 239/4885

“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.