Sugi Predict

Sugi Predict / Compounds / SCHEMBL5138093

SCHEMBL5138093

SCHEMBL5138093

CCCCn1c(CN(Cc2ccccc2)Cc2ccc(OC)cc2)cnc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.43
▸ HSD11B1 P28845 2/20 0.40
▸ SMPD1 P17405 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 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
SCHEMBL5072318 0.94 TSHR (0.40) TSHRHSD11B1SMPD1GAACYP19A1
SCHEMBL5134787 0.93 BCHE (0.42) TSHRHSD11B1SMPD1L3MBTL1
SCHEMBL5135900 0.92 TLR7 (0.42) TSHRSMPD1GAASMN1; SMN2ALDH1A1
SCHEMBL14415595 0.92 HPGD (0.44) TSHRHSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5135645 0.91 TAS2R14 (0.44) SMN1; SMN2RAB9ANPC1
SCHEMBL5072278 0.91 TSHR (0.51) TSHRHSD11B1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5135378 0.91 CALM1 (0.45) TSHRGAAALDH1A1MAPTMAPK1
SCHEMBL5135023 0.90 AGTR1 (0.45) SMN1; SMN2MAPT
SCHEMBL5070162 0.89 TSHR (0.47) TSHRHSD11B1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5137319 0.89 TSHR (0.47) TSHRHSD11B1CYP19A1KDM4EHSD17B10

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-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 — — EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 — — US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 — — US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 — — US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 — — US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 — — EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 — — 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 TSHR 952/4885HSD11B1 4488/4885SMPD1 2738/4885

“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.