Sugi Predict

Sugi Predict / Compounds / SCHEMBL5116823

SCHEMBL5116823

SCHEMBL5116823

O=C1NC(c2ccccc2)=C2C(=O)OC(c3ccc(Br)cc3)=C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ PTGS2 P35354 6/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GSK3B P49841 2/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33

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
SCHEMBL5117194 0.91 GSK3B (0.39) ALDH1A1PTGS2GSK3B
SCHEMBL12577691 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1PTGS2NPC1RAB9A
SCHEMBL14051815 0.83 PTGS2 (0.34) ALDH1A1PTGS2GSK3BTSHR
SCHEMBL12577696 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1PTGS2NPC1RAB9A
SCHEMBL14275472 0.80 GSK3B (0.41) PTGS2GSK3BAGTR1SMN1; SMN2
SCHEMBL1557038 0.77 HAO1 (0.43) ALDH1A1MAPK1HAO1TSHR
SCHEMBL17430598 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1NPC1RAB9ARXFP1
SCHEMBL7754290 0.73 PTGS2 (0.48) ALDH1A1PTGS2GSK3B
SCHEMBL91967 0.73 PTGS2 (0.48) ALDH1A1PTGS2GSK3B
SCHEMBL278635 0.73 GSK3B (0.48) ALDH1A1PTGS2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442804-B2 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-28 — — US disclosed
US-7442804-B2 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-28 — — US disclosed
US-7442804-B2 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-10-28 — — US disclosed
US-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 — — US disclosed
US-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 — — US disclosed
US-20070100135-A1 Process for the preparation of furopyrroles CIBA SPECIALTY CHEMICALS CORPORATION 2007-05-03 — — US disclosed
EP-1641802-A2 PROCESS FOR THE PREPARATION OF FUROPYRROLES Ciba SC Holding AG (CH) 2006-04-05 — — EP disclosed
WO-2005005430-A2 PROCESS FOR THE PREPARATION OF FUROPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-01-20 — — 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-20070100135-A1 Process for the preparation of furopyrroles CCND3, C1S, CCNL2 ALDH1A1 2024/4885MAPK1 1232/4885PTGS2 2541/4885

“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.