Sugi Predict

Sugi Predict / Compounds / SCHEMBL22906170

SCHEMBL22906170

SCHEMBL22906170

CCNC(=O)c1c(C)c[nH]c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.55
▸ TSHR P16473 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL13063885 0.85 NOTUM (0.47) NOTUMTSHRKDM4EALDH1A1HTT
SCHEMBL1080986 0.79 EGFR (0.48) NOTUMTSHRKDM4EALDH1A1HPGD
SCHEMBL29446127 0.79 NOTUM (0.61) NOTUMMAPTHTTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30319587 0.78 LMNA (0.49) NOTUMTSHRKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL28798207 0.77 NOTUM (0.50) NOTUMKDM4EMAPTHPGDHTT
SCHEMBL6381995 0.77 TSHR (0.54) NOTUMTSHRKDM4EMAPTALDH1A1
SCHEMBL30791139 0.77 NOTUM (0.42) NOTUMTSHRKDM4EALDH1A1HPGD
SCHEMBL1844884 0.75 NOTUM (0.55) NOTUMTSHRKDM4EALDH1A1MEN1
SCHEMBL13712812 0.75 PDGFRB (0.42) NOTUMTSHRLMNA
SCHEMBL5921884 0.75 NPSR1 (0.55) KDM4EMAPTALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 — — US disclosed
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 — — US disclosed
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-01-21 — — 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 (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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 NOTUM 937/4885TSHR 4693/4885KDM4E 4112/4885
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 NOTUM 937/4885TSHR 4693/4885KDM4E 4112/4885

“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.