Sugi Predict

Sugi Predict / Compounds / SCHEMBL20665993

SCHEMBL20665993

SCHEMBL20665993

COc1ccc(C(=O)C(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ P4HTM Q9NXG6 4/20 0.42
▸ CACNA1I Q9P0X4 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 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
SCHEMBL17253139 0.85 P4HTM (0.54) ALDH1A1P4HTMHTTPOLBAPP
SCHEMBL287134 0.79 P4HTM (0.60) DRD3ALDH1A1HPGDP4HTMMAPK1
SCHEMBL2187078 0.79 DRD3 (0.47) DRD3ALDH1A1HPGDF2GLA
SCHEMBL31296544 0.78 MAPK1 (0.65) DRD3ALDH1A1HPGDP4HTMMAPK1
SCHEMBL31474570 0.78 P4HTM (0.59) DRD3ALDH1A1HPGDP4HTMMAPK1
SCHEMBL29637741 0.78 APP (0.56) DRD3P4HTMHPGDSAPP
SCHEMBL16011699 0.78 P4HTM (0.59) DRD3ALDH1A1HPGDP4HTMMAPK1
SCHEMBL11192069 0.78 DRD3 (0.46) DRD3ALDH1A1HPGDF2GLA
SCHEMBL1545257 0.78 MAPK1 (0.65) DRD3ALDH1A1HPGDP4HTMMAPK1
SCHEMBL3133220 0.78 APP (0.56) DRD3P4HTMHPGDSAPP

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-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 — — US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 — — US disclosed
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 — — US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 — — 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 (4 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-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 DRD3 4596/4885ALDH1A1 3104/4885HPGD 3114/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 DRD3 1356/4885ALDH1A1 2100/4885HPGD 570/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 DRD3 1356/4885ALDH1A1 2100/4885HPGD 570/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 DRD3 1356/4885ALDH1A1 2100/4885HPGD 570/4885

“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.