SCHEMBL3604548

SCHEMBL3604548

O=C(O)NCc1ccc(C(=O)NOCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
NPC1 O15118 6/20 0.71
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
HDAC6 Q9UBN7 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL7377640 0.84 RAB9A (0.81) RAB9ANPC1HDAC6HDAC1HDAC2
SCHEMBL5120704 0.84 RAB9A (1.00) RAB9ANPC1HDAC6HDAC1HDAC2
SCHEMBL22482890 0.84 TSHR (0.68) RAB9ANPC1TSHRLMNAHPGD
SCHEMBL4805215 0.83 RAB9A (0.83) RAB9ANPC1LMNAHDAC6HDAC1
SCHEMBL7377636 0.81 RAB9A (0.81) RAB9ANPC1HDAC6HDAC1HDAC2
SCHEMBL13479791 0.80 RAB9A (1.00) RAB9ANPC1LMNAHDAC6HDAC1
SCHEMBL34464871 0.80 RAB9A (0.78) RAB9ANPC1HPGDHDAC6HDAC1
SCHEMBL9943802 0.80 HDAC1 (0.50) RAB9ANPC1HDAC6HDAC1HDAC2
SCHEMBL12051400 0.80 RAB9A (0.83) RAB9ANPC1LMNAHDAC6HDAC1
SCHEMBL8248413 0.78 HDAC1 (0.55) RAB9ANPC1LMNAHPGDHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 RAB9A 601/4885NPC1 139/4885CYP1A2 16/4885

“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.