SCHEMBL13407124

SCHEMBL13407124

N[C@H](CCNC(=O)c1ccccc1)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
EPHX2 P34913 1/20 0.58
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ESRRG P62508 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL203278 0.86 ANPEP (0.47) KMT2ALMNA
SCHEMBL28856753 0.83 EPHX2 (0.59) RAB9ANPC1EPHX2HDAC2HDAC8
SCHEMBL27687302 0.83 EPHX2 (0.63) RAB9ANPC1EPHX2HDAC2HDAC8
SCHEMBL28240820 0.81 EPHX2 (0.61) RAB9ANPC1EPHX2HDAC2HDAC8
SCHEMBL751214 0.80 HDAC2 (0.80) RAB9ANPC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL28193721 0.79 HDAC2 (0.77) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL27406375 0.78 NAAA (0.68) RAB9ANPC1EPHX2HDAC2HDAC8
SCHEMBL27406374 0.78 NAAA (0.68) RAB9ANPC1EPHX2HDAC2HDAC8
SCHEMBL2237718 0.78 EPHX2 (0.65) RAB9ANPC1EPHX2HDAC2HDAC8
SCHEMBL2237728 0.78 EPHX2 (0.65) RAB9ANPC1EPHX2HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705161-B2 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-27 US disclosed
US-20070191614-A1 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-08-16 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 (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-20070191614-A1 Process for producing nitrogenous 5-membered cyclic compound HRH4, HRH2, HRH1 RAB9A 435/4885NPC1 2811/4885EPHX2 2834/4885

“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.