SCHEMBL16319054

SCHEMBL16319054

COc1cc(C(=O)C2CC2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MGLL Q99685 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR1 P21453 2/20 0.36
CYP2C9 P11712 1/20 0.35
ALOX5AP P20292 1/20 0.35
KCNH2 Q12809 1/20 0.35
NNMT P40261 1/20 0.35
ABL1 P00519 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL20869196 0.77 LMNA (0.42) NPC1RAB9ALMNATDP1CYP2C19
SCHEMBL9190690 0.77 LMNA (0.55) LMNATDP1ALDH1A1KDM4ENNMT
SCHEMBL13726677 0.75 SIRT6 (0.55) NPC1RAB9AMGLLLMNATDP1
SCHEMBL3716193 0.75 ALDH1A1 (0.48) LMNATDP1CYP2C19ALDH1A1KDM4E
SCHEMBL16319036 0.74 MAPK1 (0.36) NPC1RAB9AMGLLSMN1; SMN2MAPT
SCHEMBL15500904 0.74 MGLL (0.33) NPC1RAB9AMGLLSMN1; SMN2S1PR1
SCHEMBL26916794 0.73 NPC1 (0.41) NPC1RAB9AMGLLTDP1KDM4E
SCHEMBL30753282 0.73 RAB9A (0.49) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL15508053 0.73 CNR2 (0.39) MGLLRAF1
SCHEMBL13729690 0.72 HDAC6 (0.39) NPC1RAB9ALMNATDP1CYP2C19

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-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 NPC1 673/4885RAB9A 2993/4885MGLL 1664/4885

“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.