SCHEMBL960594

SCHEMBL960594

N#CCNC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.44
CTSB P07858 5/20 0.44
CTSS P25774 5/20 0.44
CTSV O60911 4/20 0.44
CTSK P43235 3/20 0.44
GPR52 Q9Y2T5 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
JAK2 O60674 1/20 0.42
GRM5 P41594 1/20 0.41
PAK1 Q13153 1/20 0.41
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKD1 Q15139 2/20 0.40

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
SCHEMBL962349 0.84 GPR52 (0.45) GPR52MRGPRX4SLC6A2SLC6A4SLC6A3
SCHEMBL956572 0.83 GPR52 (0.48) GPR52MRGPRX4CNR1ALDH1A1
SCHEMBL963502 0.83 GPR52 (0.46) CTSLCTSBCTSSCTSVCTSK
SCHEMBL958072 0.82 L3MBTL1 (0.51) MRGPRX4CNR1ALDH1A1NPC1RAB9A
SCHEMBL962542 0.82 KDR (0.43) GPR52MRGPRX4SLC6A2SLC6A4SLC6A3
SCHEMBL959319 0.81 MRGPRX4 (0.61) MRGPRX4CNR1NPC1RAB9ACYP2C9
SCHEMBL959528 0.81 GPR52 (0.45) GPR52MRGPRX4SLC6A2SLC6A4SLC6A3
SCHEMBL957882 0.81 MAP4K4 (0.54) ALDH1A1MEN1KMT2A
SCHEMBL959544 0.80 GPR52 (0.45) CTSLCTSBCTSSGPR52NPC1
SCHEMBL958740 0.79 KMT2A (0.41) MRGPRX4SLC6A2SLC6A4SLC6A3KCNH2

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 CTSL 4017/4885CTSB 3553/4885CTSS 1703/4885

“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.