SCHEMBL3024356

SCHEMBL3024356

Oc1ccc(-c2cnc3ccccc3n2)cc1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.67
NPC1 O15118 10/20 0.61
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
STAT1 P42224 1/20 0.50
PIK3CG P48736 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX12 P18054 1/20 0.49
MAPK10 P53779 1/20 0.49
ATM Q13315 1/20 0.49
JAK2 O60674 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7697802 0.87 ALOX5 (0.51) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16968752 0.86 PIK3CG (0.51) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31010856 0.82 BCHE (0.56) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3004664 0.82 NPC1 (0.58) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4954320 0.81 NPC1 (0.81) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11282447 0.81 KDM4E (0.47) BCHENPC1MAPTKDM4EPIK3CG
SCHEMBL10555895 0.81 NPC1 (0.51) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1160811 0.80 BCHE (1.00) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2156854 0.80 NPC1 (0.61) BCHENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30482895 0.80 NPC1 (0.61) BCHENPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447474-A Metal organic framework material based on tetraazapentacene quinone and preparation method thereof 电子科技大学长三角研究院(湖州) 2024-01-26 CN claimed
CN-117447474-A Metal organic framework material based on tetraazapentacene quinone and preparation method thereof 电子科技大学长三角研究院(湖州) 2024-01-26 CN disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 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 (1 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 BCHE 493/4885NPC1 1110/4885RAB9A 3773/4885

“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.