SCHEMBL13836239

SCHEMBL13836239

O=S(=O)(O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NOTUM Q6P988 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 5/20 0.54
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.51
PKM P14618 1/20 0.48
NAMPT P43490 2/20 0.44

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
Hydrochloric Acid SCHEMBL7657795 0.89 MAPT (0.47) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL295953 0.84 NOTUM (0.61) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL3112806 0.82 MAPT (0.57) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL13485837 0.81 MAPT (0.60) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL4341894 0.80 NOTUM (0.78) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL8203335 0.78 MAPT (0.54) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL1661109 0.78 MAPT (0.50) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL7657790 0.76 NOTUM (0.51) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL598184 0.75 NOTUM (0.64) KMT2AMEN1NOTUMKDM4EALDH1A1
SCHEMBL14154815 0.74 MAPT (0.51) KMT2AMEN1NOTUMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169281-B2 Mononuclear metal complex, hydrogenation reduction catalyst, dehydrogenation catalyst, method for producing hydrogenation reduction product, method for producing hydrogen (H2), and method for producing dehydrogenation reaction product OSAKA UNIVERSITY (JP) 2015-10-27 US disclosed
US-8765779-B2 Tricyclic derivatives and their pharmaceutical use and compositions CEPHALON, INC. (US) 2014-07-01 US disclosed
EP-2543675-A1 MONONUCLEAR METAL COMPLEX, HYDROGENATION REDUCTION CATALYST, DEHYDROGENATION CATALYST, METHOD FOR PRODUCING HYDROGENATION REDUCTION PRODUCT, METHOD FOR PRODUCING HYDROGEN (H2), AND METHOD FOR PRODUCING DEHYDROGENATION REACTION PRODUCT Osaka University (JP) 2013-01-09 EP disclosed
US-20120321550-A1 MONONUCLEAR METAL COMPLEX, HYDROGENATION REDUCTION CATALYST, DEHYDROGENATION CATALYST, METHOD FOR PRODUCING HYDROGENATION REDUCTION PRODUCT, METHOD FOR PRODUCING HYDROGEN (H2), AND METHOD FOR PRODUCING DEHYDROGENATION REACTION OSAKA UNIVERSITY (JP) 2012-12-20 US disclosed
US-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CEPHALON, INC. (US) 2012-11-22 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 (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-20120295882-A1 Tricyclic Derivatives and Their Pharmaceutical Use and Compositions CYP3A43, CYP3A7, CYP2C19 KMT2A 4588/4885MEN1 1341/4885NOTUM 1358/4885
US-20120321550-A1 MONONUCLEAR METAL COMPLEX, HYDROGENATION REDUCTION CATALYST, DEHYDROGENATION CATALYST, METHOD FOR PRODUCING HYDROGENATION REDUCTION PRODUCT, METHOD FOR PRODUCING HYDROGEN (H2), AND METHOD FOR PRODUCING DEHYDROGENATION REACTION MON2, HRH3, AP2M1 KMT2A 594/4885MEN1 361/4885NOTUM 4240/4885

“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.