SCHEMBL3395244

SCHEMBL3395244

COc1ccccc1C1=CCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.66
HBB P68871 1/20 0.66
PARP1 P09874 8/20 0.65
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 2/20 0.52
ATM Q13315 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ELANE P08246 1/20 0.47

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
SCHEMBL3395147 0.89 PARP1 (0.80) CASP1HBBPARP1KMT2AMEN1
SCHEMBL3397596 0.85 PARP1 (0.79) CASP1HBBPARP1KMT2AMEN1
SCHEMBL3394290 0.81 DRD4 (0.63) CASP1HBBPARP1KMT2AMEN1
SCHEMBL30445920 0.80 CASP1 (1.00) CASP1HBBPARP1KMT2AMEN1
SCHEMBL3392966 0.79 DRD4 (0.62) PARP1KMT2AMEN1MAPTKDM4E
SCHEMBL13278729 0.75 ELANE (0.47) PARP1KMT2AMEN1MAPTKDM4E
SCHEMBL3397977 0.74 PARP1 (0.76) CASP1HBBPARP1KMT2AMEN1
SCHEMBL23882073 0.72 ALDH1A1 (0.54) CASP1HBBPARP1KMT2AMEN1
SCHEMBL30259440 0.72 ALDH1A1 (0.54) CASP1HBBPARP1KMT2AMEN1
SCHEMBL3399020 0.72 DRD4 (0.63) PARP1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233472-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS Atir Holding S.A. (LU) 2010-09-29 EP claimed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
US-9353067-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2016-05-31 US disclosed
US-9353067-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2016-05-31 US disclosed
US-9353067-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2016-05-31 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-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-10-02 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
US-8349850-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2013-01-08 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
WO-2012140642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. (LU) 2012-10-18 WO 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

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-20100029671-A1 Heterocyclic Compounds And Uses Thereof In The Treatment Of Sexual Disorders PDE5A, PDE3B, PDE3A CASP1 4023/4885HBB 2685/4885PARP1 3297/4885
US-20140296247-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS CYP19A1, HSD17B11, SHBG CASP1 3994/4885HBB 566/4885PARP1 3703/4885

“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.