SCHEMBL346340

SCHEMBL346340

COC(=O)C1CCc2cc(NC(=O)C3CC3)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HSD17B10 Q99714 2/20 0.49
GHSR Q92847 1/20 0.47
NAMPT P43490 1/20 0.47
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 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
SCHEMBL346517 0.84 GHSR (0.49) NPC1RAB9AHSD17B10GHSRNAMPT
SCHEMBL15431081 0.81 FAAH (0.43) KMT2A
SCHEMBL345640 0.81 NPC1 (0.49) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL346380 0.81 MTNR1A (0.56) USP2LMNAALDH1A1KDM4EMTNR1A
Hydrochloric Acid SCHEMBL7432243 0.80 FAAH (0.42) KMT2A
SCHEMBL18165463 0.80 NPC1 (0.45) NPC1RAB9AMTNR1AMTNR1BKMT2A
SCHEMBL9218363 0.79 FAAH (0.44) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL344552 0.79 CA1 (0.53)
SCHEMBL5889332 0.79 FAAH (0.44) ALDH1A1KDM4EMTNR1AMTNR1BKMT2A
SCHEMBL346625 0.79 NPC1 (0.58) NPC1RAB9AGHSRPOLBLMNA

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-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
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 NPC1 2892/4885RAB9A 1979/4885HSD17B10 306/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 NPC1 3030/4885RAB9A 939/4885HSD17B10 262/4885

“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.