SCHEMBL2226679

SCHEMBL2226679

Clc1nc2ccc(Br)cc2cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
NT5E P21589 1/20 0.41
HTT P42858 2/20 0.40
PSMB5 P28074 1/20 0.38
PABPC1 P11940 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPM1 P06748 1/20 0.35
ALK Q9UM73 1/20 0.35
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 2/20 0.32
NOS1 P29475 1/20 0.32
METAP2 P50579 1/20 0.32
CSNK2A1 P68400 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL29033344 0.80 BACE1 (0.47) BACE1NT5EHTTPSMB5PABPC1
SCHEMBL24971016 0.80 BACE1 (0.47) BACE1NT5EHTTPSMB5PABPC1
SCHEMBL30973192 0.80 BACE1 (0.47) BACE1NT5EHTTPSMB5PABPC1
SCHEMBL1128599 0.77 BACE1 (0.44) BACE1NT5EHTTPSMB5PABPC1
SCHEMBL8672 0.74 CYP1A2 (0.57) BACE1NT5EHTTCYP1A2CYP2C19
SCHEMBL1767828 0.74 KMT2A (0.61) BACE1NT5EHTTPSMB5PABPC1
SCHEMBL29768297 0.74 BACE1 (0.58) BACE1NT5EHTTPSMB5PABPC1
SCHEMBL4347785 0.74 BACE1 (0.58) BACE1NT5EHTTPSMB5PABPC1
SCHEMBL2729303 0.74 KMT2A (0.55) HTTALDH1A1KDM4EMEN1MAPT
SCHEMBL1767710 0.73 ALDH1A1 (0.49) BACE1NT5EHTTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2024-08-01 US disclosed
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-07-14 US disclosed
EP-3521286-B1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2021-09-29 EP disclosed
US-11124501-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-09-21 US disclosed
EP-3521286-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 Cancer Research Technology Ltd. (GB) 2019-08-07 EP disclosed
US-20190106413-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-04-11 US disclosed
EP-3052492-B1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECH LTD (GB) 2019-03-27 EP disclosed
US-10189821-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-01-29 US disclosed
US-9701664-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-07-11 US disclosed
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
WO-2007084135-A9 INHIBITORS OF CHECKPOINT KINASES MERCK & CO INC (US) 2007-10-11 WO 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 (7 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B BACE1 1/4885NT5E 3142/4885HTT 2538/4885
US-20190106413-A1 INHIBITOR COMPOUNDS HSF1, HSP90AB1, HSP90AA1 BACE1 1693/4885NT5E 4455/4885HTT 394/4885
US-10189821-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 BACE1 2449/4885NT5E 4454/4885HTT 850/4885
US-20240254110-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 BACE1 2289/4885NT5E 4460/4885HTT 528/4885
US-11787786-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 HSF1, HSP90AB1, HSPB1 BACE1 2289/4885NT5E 4460/4885HTT 528/4885
US-20220220097-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 HSF1, HSP90AB1, HSPB1 BACE1 2289/4885NT5E 4460/4885HTT 528/4885
US-11124501-B2 Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor I HSF1, HSP90AB1, HSPB1 BACE1 2449/4885NT5E 4454/4885HTT 850/4885

“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.