SCHEMBL1165644

SCHEMBL1165644

O=Cc1cccc(Cn2cc(-c3ccccc3)nn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.67
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54

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
SCHEMBL29065641 0.85 CYP19A1 (0.72) CYP19A1NPC1RAB9AHDAC3HDAC1
SCHEMBL6918238 0.82 CYP19A1 (0.56) CYP19A1NPC1RAB9AHDAC3HDAC1
SCHEMBL1165170 0.81 HDAC1 (0.61) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL1165168 0.81 HDAC1 (0.61) CYP19A1HDAC3HDAC1HDAC2HDAC10
SCHEMBL935182 0.81 CYP19A1 (1.00) CYP19A1NPC1RAB9AHDAC3HDAC1
SCHEMBL12022166 0.80 CYP19A1 (0.84) CYP19A1NPC1RAB9AHDAC3HDAC1
SCHEMBL1164879 0.80 CD74 (0.56) CYP19A1NPC1RAB9AHDAC3HDAC1
SCHEMBL1164877 0.80 CD74 (0.56) CYP19A1NPC1RAB9AHDAC3HDAC1
SCHEMBL29275463 0.80 CYP19A1 (0.72) CYP19A1NPC1RAB9AHDAC3HDAC1
SCHEMBL1164944 0.80 CYP19A1 (0.72) CYP19A1NPC1RAB9AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102548975-A Histone deacetylase inhibitors PORTSMOUTH TECHNOLOGIES LLC 2012-07-04 CN disclosed
EP-2451790-A1 HISTONE DEACETYLASE INHIBITORS Anthem Biosciences Private Limited (IN) 2012-05-16 EP disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 WO disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 CYP19A1 3106/4885NPC1 1158/4885RAB9A 3579/4885

“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.