SCHEMBL2205085

SCHEMBL2205085

Clc1ccc(OCCCBr)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
S1PR4 O95977 10/20 0.57
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 5/20 0.51
TSHR P16473 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 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
SCHEMBL1283086 0.94 MAPT (0.58) MAPTS1PR4TDP1HPGDTSHR
SCHEMBL895104 0.90 S1PR4 (0.58) MAPTS1PR4TDP1HPGDTSHR
SCHEMBL11413525 0.86 S1PR4 (0.66) MAPTS1PR4TDP1
SCHEMBL7237501 0.84 MAPT (0.58) MAPTS1PR4TDP1HPGDTSHR
SCHEMBL31343622 0.83 MAPT (0.48) MAPTS1PR4HPGDTSHRRAB9A
SCHEMBL9214093 0.82 MAPT (0.57) MAPTS1PR4TDP1HPGDTSHR
SCHEMBL11840387 0.82 TDP1 (0.56) MAPTS1PR4TDP1HPGDTSHR
SCHEMBL5318910 0.81 S1PR4 (0.47) MAPTS1PR4SMN1; SMN2
SCHEMBL8794130 0.81 TP53 (0.64) MAPTS1PR4TDP1HPGDTSHR
SCHEMBL5477791 0.81 ALDH1A1 (0.68) MAPTS1PR4TDP1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024229078-A1 MONOAMINE OXIDASE INHIBITORS ELLISON INSTITUTE, LLC (US) 2024-11-07 WO disclosed
EP-2736506-B1 MONOAMINE OXIDASE INHIBITORS AND METHODS FOR TREATMENT AND DIAGNOSIS OF PROSTATE CANCER UNIV SOUTHERN CALIFORNIA (US) 2018-09-05 EP disclosed
US-20180185303-A1 MONOAMINE OXIDASE INHIBITORS AND METHODS FOR TREATMENT AND DIAGNOSIS OF PROSTATE CANCER UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-07-05 US disclosed
US-20180185303-A1 MONOAMINE OXIDASE INHIBITORS AND METHODS FOR TREATMENT AND DIAGNOSIS OF PROSTATE CANCER UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-07-05 US disclosed
US-20180185303-A1 MONOAMINE OXIDASE INHIBITORS AND METHODS FOR TREATMENT AND DIAGNOSIS OF PROSTATE CANCER UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-07-05 US disclosed
US-9771625-B2 Monoamine oxidase inhibitors and methods for treatment and diagnosis of prostate cancer UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-09-26 US disclosed
US-9771625-B2 Monoamine oxidase inhibitors and methods for treatment and diagnosis of prostate cancer UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-09-26 US disclosed
US-9771625-B2 Monoamine oxidase inhibitors and methods for treatment and diagnosis of prostate cancer UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-09-26 US disclosed
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO disclosed
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
WO-2008130970-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
US-4913891-A CARBON-11 LABELED CLORGYLINE AND L-DEPRENYL BOUND TO MONO-OXIDASE; IRREVERSIBLE; MAPPING ENZYME ACITIVITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-04-03 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 (2 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 MAPT 4654/4885S1PR4 1536/4885TDP1 4437/4885
US-20180185303-A1 MONOAMINE OXIDASE INHIBITORS AND METHODS FOR TREATMENT AND DIAGNOSIS OF PROSTATE CANCER MAOA, COMT, MAOB MAPT 592/4885S1PR4 3400/4885TDP1 1579/4885

“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.