Sugi Predict

Sugi Predict / Compounds / SCHEMBL6161826

SCHEMBL6161826

SCHEMBL6161826

C[Si](C)(C)CCOC(=O)c1c(N)ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GABRP O00591 2/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ GABRE P78334 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ GABRG1 Q8N1C3 2/20 0.38
▸ GABRG3 Q99928 2/20 0.38
▸ GABRQ Q9UN88 2/20 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
SCHEMBL6162041 0.85 ABCG2 (0.42) KMT2ATSHRKDM4EHSD17B10L3MBTL1
SCHEMBL27595698 0.81 KMT2A (0.53) KMT2ATSHRRAB9ANPC1GABRP
SCHEMBL3978725 0.76 NCEH1 (0.57) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL6163867 0.76 NCEH1 (0.39) KMT2ATSHRRAB9AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL27960997 0.73 KMT2A (0.45) KMT2ATSHRRAB9ANPC1KDM4E
SCHEMBL28697326 0.73 GRM6 (0.45) KMT2ATSHRRAB9ANPC1GABRP
SCHEMBL23391023 0.71 NCEH1 (0.51) KMT2ATSHRRAB9ANPC1KDM4E
SCHEMBL13973087 0.71 KDM4E (0.47) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL5466818 0.70 ALDH1A1 (0.46) KMT2ATSHRRAB9ANPC1KDM4E
SCHEMBL28400379 0.70 ALDH1A1 (0.62) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 — — EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 — — US disclosed
CN-1527824-A Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derilatives as IP antagonists - 2004-09-08 — — CN disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 — — EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 — — US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 — — 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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R KMT2A 4499/4885TSHR 339/4885RAB9A 3622/4885

“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.