SCHEMBL3397900

SCHEMBL3397900

CC(C)c1cccc2c(=O)nc(-c3ccccc3O)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.41
ANPEP P15144 1/20 0.41
DPP4 P27487 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 4/20 0.40
TSHR P16473 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL5842491 0.85 MAOA (0.51) TOP2AAKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL6470822 0.80 KDM4E (0.50) TOP2ACYP3A4MAPTMEN1KMT2A
SCHEMBL61277 0.76 AKR1C3 (0.54) TOP2AAKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL29440787 0.76 AKR1C3 (0.54) TOP2AAKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL29440785 0.76 AKR1C3 (0.54) TOP2AAKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL5842306 0.70 KDM4E (0.57) TOP2AAKR1C3AKR1C2AKR1C1CYP3A4
SCHEMBL5344934 0.69 MET (0.51) CYP3A4CYP2C19TSHRGABRA1GABRB2
SCHEMBL6573140 0.67 MAOA (0.58) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL311429 0.67 MAOA (0.46) CYP3A4MAPTMEN1KMT2AKDM4E
SCHEMBL6759892 0.67 HPGD (0.41) MAPTMEN1KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-04-17 US disclosed
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-04-17 US disclosed
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-04-17 US disclosed
EP-2233472-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2014-01-15 EP disclosed
EP-2233472-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2014-01-15 EP disclosed
US-8614319-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2013-12-24 US disclosed
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2013-03-21 US disclosed
US-8349850-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2013-01-08 US disclosed
EP-2233472-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS Atir Holding S.A. (LU) 2010-09-29 EP disclosed
EP-2233472-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS Atir Holding S.A. (LU) 2010-09-29 EP disclosed
US-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders ATIR HOLDING S.A. (LU) 2010-02-04 US disclosed
US-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders ATIR HOLDING S.A. (LU) 2010-02-04 US disclosed
US-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders ATIR HOLDING S.A. (LU) 2010-02-04 US disclosed
WO-2007110868-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2007-10-04 WO disclosed
US-20050235428-A1 Use of metal complex compounds as oxidation catalysts CIBA SPECIALTY CHEMICALS CORP. 2005-10-27 US disclosed
EP-1456216-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba SC Holding AG (CH) 2004-09-15 EP disclosed
WO-2003053986-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-07-03 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 (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-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders PDE5A, PDE3B, PDE3A TOP2A 3447/4885ANPEP 2367/4885DPP4 612/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A TOP2A 2955/4885ANPEP 2746/4885DPP4 1387/4885
US-20130072479-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A TOP2A 3447/4885ANPEP 2367/4885DPP4 612/4885

“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.