Sugi Predict

Sugi Predict / Compounds / SCHEMBL7149169

SCHEMBL7149169

SCHEMBL7149169

COC(=O)C1=C(C)NC2=C(C(=O)COC2)C1c1ccc(C)c(I)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ CASP1 P29466 4/20 0.48
▸ HPGD P15428 3/20 0.46
▸ ABCC9 O60706 6/20 0.45
▸ KCNJ11 Q14654 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ CASP7 P55210 3/20 0.43
▸ ABCC8 Q09428 2/20 0.43
▸ KCNJ8 Q15842 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL7149534 0.90 ABCC9 (0.57) KDM4EHSD17B10CASP1ABCC9KCNJ11
SCHEMBL7148281 0.88 ABCC9 (0.57) KDM4EHSD17B10CASP1ABCC9KCNJ11
SCHEMBL7150217 0.84 ABCC9 (0.55) KDM4EHSD17B10CASP1ABCC9KCNJ11
SCHEMBL5073127 0.83 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5075485 0.82 ABCC9 (0.68) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7196874 0.78 ABCC9 (0.59) KDM4EABCC9KCNJ11ALDH1A1ABCC8
SCHEMBL4255040 0.78 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4255043 0.78 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6646601 0.73 ABCC9 (0.44) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL20954213 0.71 FFAR3 (0.56) KDM4EHSD17B10CASP1HPGDALDH1A1

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-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 — — US disclosed
US-6632418-B2 Therapy for asthma, sexual disorders, hypotensive agents, analgesics ABBOTT LABORATORIES 2003-10-14 — — US disclosed
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators ABBOTT LABORATORIES 2003-04-03 — — US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 — — US disclosed
WO-2003011869-A1 RADIOLIGANDS AND THEIR USE FOR IDENTIFYING POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2003-02-13 — — 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 (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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 KDM4E 1295/4885HSD17B10 3305/4885CASP1 916/4885
US-20030065182-A1 Novel radioligands and their use for identifying potassium channel modulators KCNN3, KCNN1, KCNN2 KDM4E 1092/4885HSD17B10 2723/4885CASP1 3795/4885

“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.