Sugi Predict

Sugi Predict / Compounds / SCHEMBL1645347

SCHEMBL1645347

SCHEMBL1645347

Cc1cc(C)nc(CNCCCc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccc(Cl)cn34)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ NTRK2 Q16620 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
SCHEMBL2231613 0.89 SMN1; SMN2 (0.39) HTTMAPTLMNASMN1; SMN2CNR1
SCHEMBL1646757 0.88 HTT (0.37) HTTMAPTLMNASMN1; SMN2ADRB1
SCHEMBL1647397 0.87 SMN1; SMN2 (0.40) HTTMAPTLMNASMN1; SMN2CNR1
SCHEMBL1127210 0.84 ADRB1 (0.41) HTTMAPTLMNASMN1; SMN2ADRB1
SCHEMBL1645350 0.84 HTT (0.41) HTTMAPTLMNASMN1; SMN2CNR1
SCHEMBL1646506 0.83 LMNA (0.41) HTTMAPTLMNASMN1; SMN2ADRB1
SCHEMBL1645550 0.81 SMN1; SMN2 (0.41) HTTMAPTLMNASMN1; SMN2CNR1
SCHEMBL1646599 0.81 MAPT (0.53) HTTMAPTLMNASMN1; SMN2ADRB1
SCHEMBL1646091 0.80 LMNA (0.38) HTTMAPTLMNASMN1; SMN2ADRB1
SCHEMBL1647339 0.79 SMN1; SMN2 (0.50) HTTMAPTLMNASMN1; SMN2ADRB1

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-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 — — EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 — — US disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 — — US disclosed
EP-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 — — EP disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 — — US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 — — 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 HTT 1809/4885MAPT 1771/4885LMNA 3870/4885
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 HTT 3347/4885MAPT 2950/4885LMNA 1805/4885

“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.