Sugi Predict

Sugi Predict / Compounds / SCHEMBL4845745

SCHEMBL4845745

SCHEMBL4845745

COc1ccc2c(c1)C(C)(C)N/C2=C\C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ KLF5 Q13887 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL4838408 0.93 HSP90AA1 (0.45) NPC1MAPTALDH1A1CYP3A4KMT2A
SCHEMBL14181853 0.90 NPC1 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14181883 0.87 MAPT (0.41) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4844707 0.85 MDM2 (0.41) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4834488 0.85 NTSR1 (0.47) NPC1RAB9AMAPTCYP3A4KMT2A
SCHEMBL14181858 0.82 RAB9A (0.39) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14181864 0.82 TGM2 (0.39) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4844569 0.82 HSP90AA1 (0.45) NPC1MAPTALDH1A1CYP3A4KMT2A
SCHEMBL4834766 0.82 CA1 (0.44) NPC1MAPTALDH1A1CYP3A4KMT2A
SCHEMBL4845850 0.80 MAPT (0.48) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 — — US claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 — — US disclosed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 — — US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 — — US 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 NPC1 985/4885RAB9A 2220/4885MAPT 646/4885

“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.