Sugi Predict

Sugi Predict / Compounds / SCHEMBL21035178

SCHEMBL21035178

SCHEMBL21035178

O=C(O)/C=C/C1CC2CC1CC2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.38
▸ KDM1A O60341 6/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC9A1 P19634 1/20 0.36
▸ MAOA P21397 7/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ MAOB P27338 7/20 0.35
▸ CYP2C19 P33261 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ CYP2B6 P20813 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35

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
SCHEMBL22495822 1.00 HDAC4 (0.38) HDAC4KDM1ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL21035177 0.84 SLC6A3 (0.41) HDAC4KDM1ASMN1; SMN2NPSR1SLC6A3
SCHEMBL22495865 0.84 SLC6A3 (0.41) HDAC4KDM1ASMN1; SMN2NPSR1SLC6A3
SCHEMBL22510391 0.79 TSHR (0.38) KDM1ANPSR1ALDH1A1MAOBLMNA
SCHEMBL899999 0.78 MAOB (0.41) HDAC4KDM1AKDM4EMAPTHPGD
SCHEMBL15466643 0.75 MAOB (0.41) KDM1AKDM4EMAPTHPGDMAOA
SCHEMBL22495785 0.73 HDAC1 (0.42) HDAC4KDM1AALDH1A1KDM4EMAPT
SCHEMBL22495786 0.73 HDAC1 (0.42) HDAC4KDM1AALDH1A1KDM4EMAPT
SCHEMBL21035176 0.73 HDAC1 (0.42) HDAC4KDM1AALDH1A1KDM4EMAPT
SCHEMBL25172931 0.68 KDM1A (0.43) KDM1AALDH1A1MAPTMAOAMAOB

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-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases BEIGENE, LTD. (KY) 2022-10-18 — — US disclosed
US-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2020-10-08 — — US disclosed
US-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES BEONE MEDICINES I GMBH (CH) 2020-10-08 — — US disclosed
WO-2019101188-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2, 3-DIOXYGENASES BEIGENE, LTD. (GB) 2019-05-31 — — 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-20200317638-A1 NOVEL BENZOIMIDAZOLES AS SELECTIVE INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASES IDO2, IDO1, TPH2 HDAC4 195/4885KDM1A 128/4885SMN1; SMN2 3820/4885
US-11472788-B2 Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases IDO1, IDO2, TPH2 HDAC4 294/4885KDM1A 144/4885SMN1; SMN2 3871/4885

“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.