SCHEMBL346400

SCHEMBL346400

COC(=O)C1CCc2ccc(Nc3ccncc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 2/20 0.45
CYP19A1 P11511 2/20 0.39
BUB1 O43683 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
SYK P43405 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
OPRD1 P41143 1/20 0.36
CRBN Q96SW2 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL345641 0.84 ACVRL1 (0.49) ACVRL1CYP19A1
SCHEMBL345640 0.82 NPC1 (0.49) MTNR1AMTNR1BKMT2AFAAHNPC1
SCHEMBL344558 0.81 MEN1 (0.40) MTNR1AMTNR1BKMT2A
SCHEMBL346357 0.77 FAAH (0.54) CYP19A1FAAH
SCHEMBL25554148 0.76 MTNR1A (0.44) MTNR1AMTNR1BKMT2AFAAHCA1
SCHEMBL346094 0.76 CA1 (0.53) CYP19A1MTNR1AMTNR1BKMT2ACA1
SCHEMBL345840 0.76 MAPT (0.45) KMT2APOLB
SCHEMBL346240 0.76 FAAH (0.61) CYP19A1FAAH
SCHEMBL346625 0.76 NPC1 (0.58) KMT2ANPC1POLBRAB9A
SCHEMBL346828 0.76 NPC1 (0.49) NPC1POLBRAB9ACA1

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ACVRL1 1186/4885CYP19A1 1065/4885BUB1 2844/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ACVRL1 2703/4885CYP19A1 817/4885BUB1 2813/4885

“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.