Sugi Predict

Sugi Predict / Compounds / SCHEMBL1756637

SCHEMBL1756637

SCHEMBL1756637

C[C@]1(C(=O)O)CCCC[C@@H]1NC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ EZH2 Q15910 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 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
SCHEMBL5142279 0.79 MAPK1 (0.43) TRPA1NPC1RAB9ADDB1CRBN
SCHEMBL2126895 0.76 HPGD (0.46) NPC1RAB9AHTTSMN1; SMN2MEN1
SCHEMBL7497771 0.75 ADAM17 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL5142276 0.73 MAPK1 (0.49) TRPA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5507167 0.73 LMNA (0.34) LMNA
SCHEMBL16513001 0.72 MEN1 (0.44) NPC1RAB9AEZH2TDP1DDB1
SCHEMBL17969535 0.72 TDP1 (0.46) NPC1RAB9AEZH2TDP1DDB1
SCHEMBL31375637 0.72 ALOX15 (0.36) ALDH1A1LMNA
SCHEMBL11032082 0.71 CARM1 (0.45) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL161227 0.71 NPC1 (0.72) NPC1RAB9AHTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 — — US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 — — US disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 — — US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 — — US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — 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 (3 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 TRPA1 526/4885NPC1 2033/4885RAB9A 1301/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 TRPA1 526/4885NPC1 2033/4885RAB9A 1301/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 TRPA1 554/4885NPC1 2031/4885RAB9A 1323/4885

“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.