SCHEMBL2896019

SCHEMBL2896019

Cc1ccc(-c2n[nH]c(=O)n2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.65
LMNA P02545 2/20 0.65
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NOTUM Q6P988 3/20 0.46
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
ALOX15 P16050 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PARP10 Q53GL7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ESR2 Q92731 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CUL4A Q13619 1/20 0.41
PPARG P37231 1/20 0.40

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
SCHEMBL29347138 0.85 HSD17B10 (0.47) HSD17B10LMNAMEN1KMT2AHPGD
SCHEMBL24484066 0.85 HSD17B10 (0.47) HSD17B10LMNAMEN1KMT2AHPGD
SCHEMBL3921034 0.85 KMT2A (0.51) HSD17B10LMNAMEN1KMT2ANOTUM
SCHEMBL23565310 0.85 ALDH1A1 (0.50) HSD17B10LMNAMEN1KMT2ANOTUM
SCHEMBL9667448 0.85 HSD17B10 (0.47) HSD17B10LMNAHPGDALDH1A1KDM4E
SCHEMBL3520851 0.84 PDE3B (0.47) HSD17B10LMNAKMT2AHPGDALDH1A1
SCHEMBL7015129 0.84 LMNA (0.47) HSD17B10LMNAMEN1KMT2ANOTUM
SCHEMBL9119099 0.82 MAPK9 (0.50) HSD17B10LMNAMEN1KMT2AHPGD
SCHEMBL9668896 0.79 APOBEC3G (0.56) HSD17B10LMNAMEN1KMT2ANOTUM
SCHEMBL9265715 0.77 ALDH1A1 (0.55) HSD17B10LMNAMEN1KMT2ANOTUM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-7732468-B2 3-aryl-6-aryl-[ 1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2010-06-08 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2008060578-A2 3-ARYL-6-ARYL-[1,2,4] TRIAZOLO[3,4-B][1,3,4] THIADIAZOLES AND RELATED COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-05-22 WO disclosed
US-20080113984-A1 3-Aryl-6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-05-15 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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-20080113984-A1 3-Aryl-6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and related compounds as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP2 HSD17B10 1078/4885LMNA 2122/4885MEN1 3802/4885
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B HSD17B10 1775/4885LMNA 2681/4885MEN1 1879/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B HSD17B10 1775/4885LMNA 2681/4885MEN1 1879/4885

“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.