SCHEMBL6985970

SCHEMBL6985970

CC(C)(C)CC(NC(=O)c1ccccc1)Nc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNJ11 Q14654 1/20 0.38
P2RX7 Q99572 1/20 0.38
CCR6 P51684 1/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 1/20 0.38
CXCR2 P25025 3/20 0.38
MAPKAPK2 P49137 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 4/20 0.36
CXCR1 P25024 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6989585 0.83 LMNA (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KCNJ11
SCHEMBL6989589 0.79 CCR6 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2CCR6
SCHEMBL6988220 0.79 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KCNJ11
SCHEMBL6986808 0.78 RAB9A (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KCNJ11
SCHEMBL6983246 0.76 KMT2A (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KCNJ11
SCHEMBL4256402 0.75 POLB (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KCNJ11
SCHEMBL4256399 0.75 POLB (0.42) NPC1RAB9AALDH1A1SMN1; SMN2KCNJ11
SCHEMBL6985145 0.75 KMT2A (0.56) NPC1RAB9AALDH1A1SMN1; SMN2CCR6
SCHEMBL6984373 0.74 KMT2A (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL6986478 0.74 KMT2A (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 NPC1 735/4885RAB9A 3503/4885ALDH1A1 132/4885

“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.