SCHEMBL3048705

SCHEMBL3048705

COCOc1cccc(C(=O)NC(C)(C)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.51
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMPD1 P17405 2/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
IMPDH2 P12268 1/20 0.45
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
MAPT P10636 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 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
SCHEMBL3840595 0.86 KDM4E (0.49) LMNANPC1RAB9AROCK2ROCK1
SCHEMBL3042081 0.85 RAB9A (0.64) NPC1RAB9AROCK2ROCK1SMN1; SMN2
SCHEMBL3043303 0.83 HDAC8 (0.61) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3042564 0.81 KMT2A (0.53) GPR132LMNANPC1RAB9AROCK2
SCHEMBL3049111 0.81 ROCK2 (0.51) LMNASMPD1ROCK2ROCK1ALDH1A1
SCHEMBL3046878 0.81 ROCK2 (0.56) LMNANPC1RAB9ASMPD1ROCK2
SCHEMBL3039175 0.80 ROCK2 (0.47) LMNANPC1RAB9AROCK2ROCK1
SCHEMBL3042553 0.78 ROCK2 (0.48) LMNASMPD1ROCK2ROCK1SMN1; SMN2
SCHEMBL3161225 0.77 SMPD1 (0.49) LMNANPC1RAB9ASMPD1SMN1; SMN2
SCHEMBL3046859 0.77 ROCK2 (0.48) SMPD1ROCK2ROCK1IMPDH2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 GPR132 515/4885LMNA 2965/4885NPC1 1107/4885

“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.