SCHEMBL345545

SCHEMBL345545

O=C(Nc1ccccc1)Nc1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.59
RAB9A P51151 11/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
DGAT1 O75907 1/20 0.48
GHSR Q92847 1/20 0.48
MCHR1 Q99705 1/20 0.46
POLB P06746 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL346164 0.87 KMT2A (0.48) NPC1RAB9AMEN1KMT2AGHSR
SCHEMBL438194 0.87 KMT2A (0.45) NPC1RAB9AMEN1KMT2AGHSR
SCHEMBL346641 0.84 GHSR (0.49) NPC1RAB9AMEN1KMT2AGHSR
SCHEMBL346625 0.84 NPC1 (0.58) NPC1RAB9AMEN1KMT2ADGAT1
SCHEMBL436770 0.80 ULK1 (0.46) NPC1RAB9AMEN1KMT2AGHSR
SCHEMBL346778 0.80 HTR6 (0.54) MEN1KMT2A
SCHEMBL346515 0.80 DGAT1 (0.43) DGAT1GHSRPOLB
SCHEMBL346517 0.79 GHSR (0.49) NPC1RAB9AMEN1KMT2AGHSR
SCHEMBL10260016 0.79 FAAH (0.51) DGAT1GHSR
SCHEMBL345656 0.78 MAOB (0.43) NPC1RAB9AMEN1KMT2AGHSR

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 NPC1 2892/4885RAB9A 1979/4885MEN1 3294/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 NPC1 3030/4885RAB9A 939/4885MEN1 3777/4885

“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.