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Sugi Predict / Compounds / SCHEMBL13705141

SCHEMBL13705141

SCHEMBL13705141

O=C(OCc1ccccc1)N1CCN[C@H](CCn2ncc3ccccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMO O15229 1/20 0.43
▸ CXCR4 P61073 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GRIN2B Q13224 5/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ CCR5 P51681 1/20 0.38

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
SCHEMBL13705177 0.94 POLB (0.46) POLBHSD17B10TSHRKMOCXCR4
SCHEMBL4290999 0.86 KMO (0.50) POLBHSD17B10TSHRKMOSMN1; SMN2
SCHEMBL4753442 0.86 KMO (0.50) POLBHSD17B10TSHRKMOSMN1; SMN2
SCHEMBL4294395 0.80 KMO (0.48) POLBHSD17B10TSHRKMOSMN1; SMN2
SCHEMBL29901356 0.79 SMN1; SMN2 (0.51) CXCR4SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL13705142 0.79 GRIN2B (0.43) CXCR4SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL13202732 0.79 SMN1; SMN2 (0.53) CXCR4SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL1624293 0.79 SMN1; SMN2 (0.53) CXCR4SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL8112938 0.78 SMN1; SMN2 (0.50) CXCR4SMN1; SMN2NPC1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL29277599 0.78 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2NPC1RAB9AGRIN2B

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT POLB 3799/4885HSD17B10 1017/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT POLB 3799/4885HSD17B10 1017/4885TSHR 3226/4885

“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.