SCHEMBL8556554

SCHEMBL8556554

Cc1cccc(C(=O)Nc2nnc(C)s2)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
MEN1 O00255 4/20 0.75
GAA P10253 2/20 0.75
ALDH1A1 P00352 1/20 0.75
ALOX15 P16050 1/20 0.75
TSHR P16473 1/20 0.75
SMN1; SMN2 Q16637 4/20 0.73
TP53 P04637 1/20 0.73
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
MAPT P10636 3/20 0.64
KDM1A O60341 1/20 0.64
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 2/20 0.60
SCD O00767 1/20 0.60

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
SCHEMBL27877036 0.86 LMNA (0.62) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL7348805 0.86 MEN1 (0.71) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL18175982 0.86 MEN1 (0.71) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL12852615 0.85 MEN1 (0.73) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL17712431 0.84 SMN1; SMN2 (0.71) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL18176018 0.83 MEN1 (0.72) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL8556694 0.83 KMT2A (0.69) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL20888451 0.83 MEN1 (0.72) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL14648355 0.81 RAB9A (1.00) KMT2AMEN1GAAALDH1A1ALOX15
SCHEMBL18762149 0.81 KMT2A (0.73) KMT2AMEN1GAAALDH1A1SMN1; SMN2

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
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
WO-2014058071-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF 武田薬品工業株式会社 (JP) 2014-04-17 WO 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-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
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
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
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US 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 KMT2A 2038/4885MEN1 829/4885GAA 271/4885

“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.