SCHEMBL10246854

SCHEMBL10246854

Cc1cc(C)n(CC(=O)NC2CCCc3cc(C(=O)NO)ccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 3/20 0.46
HPGD P15428 4/20 0.45
TSHR P16473 1/20 0.45
TAOK3 Q9H2K8 2/20 0.45
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
PKM P14618 2/20 0.42
DHODH Q02127 2/20 0.42
TAOK1 Q7L7X3 1/20 0.42
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL10246936 0.78 TAOK3 (0.52) KMT2AHPGDTSHRTAOK3LMNA
SCHEMBL10246933 0.78 DHODH (0.53) KMT2AHPGDTAOK3LMNATAS1R3
SCHEMBL10247170 0.77 LMNA (0.46) NPC1RAB9AKMT2AHPGDTSHR
SCHEMBL10246997 0.76 LMNA (0.62) KMT2ALMNATAS1R3TAS1R1KDM4E
SCHEMBL10247155 0.74 LMNA (0.77) NPC1RAB9AKMT2ALMNATAS1R3
SCHEMBL10247153 0.74 LMNA (0.50) KMT2ATAOK3LMNATAS1R3TAS1R1
SCHEMBL10249634 0.74 TAOK3 (0.52) KMT2AHPGDTSHRTAOK3LMNA
SCHEMBL10246847 0.73 NPC1 (0.56) NPC1RAB9AKMT2AHPGDLMNA
SCHEMBL10249658 0.72 LMNA (0.47) KMT2ATAOK3LMNATAS1R3TAS1R1
SCHEMBL1273917 0.72 LMNA (0.55) KMT2AHPGDTSHRLMNACYP1A2

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NPC1 2866/4885RAB9A 1801/4885KMT2A 37/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NPC1 2958/4885RAB9A 1003/4885KMT2A 62/4885

“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.