SCHEMBL205544

SCHEMBL205544

Brc1ccc2c(c1)sc1cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR3 P46089 1/20 0.39
MIF P14174 1/20 0.38
CYP2A6 P11509 4/20 0.37
EPM2A O95278 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
METAP2 P50579 1/20 0.37
HSP90AA1 P07900 1/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 1/20 0.36
APP P05067 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PDPK1 O15530 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL1993262 0.91 EPM2A (0.47) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL258838 0.89 GPR3 (0.61) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4915968 0.87 ALOX15 (0.42) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4919520 0.87 MIF (0.46) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18553236 0.87 ALDH1A1 (0.42) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4921017 0.87 ALDH1A1 (0.34) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4917236 0.87 MAPT (0.62) RAB9AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL5019819 0.85 HSP90AA1 (0.43) RAB9AALDH1A1MAPTMIFCYP2A6
SCHEMBL30923497 0.85 HSP90AA1 (0.43) RAB9AALDH1A1MAPTMIFCYP2A6
SCHEMBL12925791 0.84 HRH4 (0.40) RAB9AALDH1A1MAPTMIFCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113061238-A Red light polymer based on dibenzophenazine and preparation method thereof 冯旗 2021-07-02 CN claimed
CN-104402929-A Phosphine oxide derivative of dibenzothiophene S, S dioxides and preparation method and application thereof UNIV HEILONGJIANG 2015-03-11 CN claimed
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
CN-1829509-A Pharmaceutical composition for treating tumors COMBINATORX INC (US) 2006-09-06 CN claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2025063197-A1 CRYSTAL, METHOD FOR PRODUCING CRYSTAL, AND METHOD FOR INDUCING SELF-ORGANIZATION OF SILANOL COMPOUND 国立研究開発法人産業技術総合研究所 2025-03-27 WO disclosed
WO-2024253073-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2024-12-12 WO disclosed
US-20240279550-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2024-08-22 US disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
EP-1105381-A1 DICATIONIC DIBENZOFURAN AND DIBENZOTHIOPHENE COMPOUNDS AND METHODS OF USE THEREOF The University of North Carolina at Chapel Hill (US) 2001-06-13 EP disclosed
US-6172104-B1 ADMINISTERING TO TREAT PNEUMOCYSTIS CARINII PNEUMONIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-09 US disclosed
WO-2000010990-A2 DICATIONIC DIBENZOFURAN AND DIBENZOTHIOPHENE COMPOUNDS AND METHODS OF USE THEREOF UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-03-02 WO disclosed
US-4375427-A DOPES, POLYTHIOETHERS ALLIED CORPORATION (US) 1983-03-01 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 (5 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 RAB9A 1496/4885ALDH1A1 571/4885MAPT 790/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC RAB9A 4125/4885ALDH1A1 662/4885MAPT 4349/4885
US-20240279550-A1 REACTIVE MESOGENS MCHR1, MCHR2, OPRM1 RAB9A 1267/4885ALDH1A1 2974/4885MAPT 1350/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR RAB9A 4034/4885ALDH1A1 1543/4885MAPT 4795/4885
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, AOC1 RAB9A 2334/4885ALDH1A1 816/4885MAPT 754/4885

“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.