SCHEMBL1809571

SCHEMBL1809571

BrCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.63
KCNN4 O15554 3/20 0.56
DUT P33316 3/20 0.41
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
MIF P14174 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3111880 0.87 KIF11 (0.59) KIF11KCNN4DUTTDP1TSHR
SCHEMBL12264131 0.85 KIF11 (0.74) KIF11KCNN4DUTTDP1TSHR
SCHEMBL12264133 0.81 KIF11 (0.68) KIF11KCNN4DUTTSHRALDH1A1
SCHEMBL16886979 0.81 KCNN4 (0.60) KIF11KCNN4DUTTDP1TSHR
SCHEMBL17980741 0.81 KIF11 (0.52) KIF11KCNN4DUTALDH1A1MIF
SCHEMBL12264129 0.80 KIF11 (0.61) KIF11KCNN4DUTMIF
SCHEMBL147990 0.79 KIF11 (0.65) KIF11KCNN4DUTTDP1ALDH1A1
SCHEMBL29679194 0.79 KIF11 (0.65) KIF11KCNN4DUTTDP1TSHR
SCHEMBL10675170 0.77 KIF11 (0.63) KIF11KCNN4DUTTSHRALDH1A1
SCHEMBL8961063 0.77 KCNN4 (0.68) KIF11KCNN4DUTTDP1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 EP disclosed
EP-3885340-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2021-09-29 EP disclosed
US-11046713-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2021-06-29 US disclosed
EP-3369732-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2020-09-24 US disclosed
US-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 US disclosed
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2019-04-04 US disclosed
US-10118933-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2018-11-06 US disclosed
EP-3369732-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2018-09-05 EP disclosed
US-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2017-09-14 US disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
CN-1852715-A Cephem compounds ASTELLAS PHARMA INC (JP) 2006-10-25 CN disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
EP-0625514-B1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1999-08-25 EP disclosed
US-5420130-A Adrenergic blocking agents SYNTHELABO (FR) 1995-05-30 US disclosed
EP-0625514-A1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-11-23 EP disclosed
US-5210086-A Adrenergic antagonists, urogenital disorders SYNTHELABO (FR) 1993-05-11 US disclosed
US-5164397-A Hypotensive SYNTHELABO (FR) 1992-11-17 US disclosed
EP-0435749-A1 Derivatives of 2-aminopyrimidine-4-carboxamide, their preparation and therapeutic use SYNTHELABO (FR) 1991-07-03 EP 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-20170260206-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG KIF11 3802/4885KCNN4 4566/4885DUT 1325/4885
US-10118933-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG KIF11 3802/4885KCNN4 4566/4885DUT 1325/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S KIF11 3237/4885KCNN4 2885/4885DUT 2646/4885
US-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG KIF11 3802/4885KCNN4 4566/4885DUT 1325/4885
US-20200299307-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG KIF11 3802/4885KCNN4 4566/4885DUT 1325/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG KIF11 3802/4885KCNN4 4566/4885DUT 1325/4885
US-11046713-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG KIF11 3802/4885KCNN4 4566/4885DUT 1325/4885

“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.