SCHEMBL1494886

SCHEMBL1494886

COc1cccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.64
▸ RAB9A P51151 9/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.64
▸ ALDH1A1 P00352 7/20 0.64
▸ HPGD P15428 4/20 0.64
▸ ADRB2 P07550 1/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ HTT P42858 2/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ LMNA P02545 4/20 0.62
▸ POLB P06746 3/20 0.62
▸ GFER P55789 1/20 0.62
▸ MAPT P10636 5/20 0.62
▸ PKM P14618 2/20 0.59
▸ EPHX2 P34913 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL4781504 0.91 KDM4E (0.77) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1494815 0.89 KDM4E (0.74) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL26603222 0.85 ALDH1A3 (0.61) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19322176 0.85 KDM4E (0.82) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12726152 0.84 KDM4E (0.65) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12765291 0.83 KDM4E (0.64) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1494756 0.82 RAB9A (0.79) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4727131 0.80 KDM4E (0.64) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1494571 0.79 KDM4E (0.77) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12726167 0.79 KDM4E (0.58) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1

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
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 — — US claimed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 — — US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 — — US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 — — US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 — — US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 — — 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-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 KDM4E 2294/4885RAB9A 1191/4885NPC1 1768/4885

“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.

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