SCHEMBL30839791

SCHEMBL30839791

O=C1Nc2ccccc2C2CC12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
GSK3B P49841 2/20 0.42
ALDH1A1 P00352 2/20 0.42
BRPF1 P55201 1/20 0.41
CREBBP Q92793 1/20 0.41
TDO2 P48775 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
NLRP3 Q96P20 1/20 0.38
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL2764856 1.00 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL23264408 1.00 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL19696036 1.00 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL11788559 0.85 TSHR (0.42) IDO1ALDH1A1MAPTGAATDP1
SCHEMBL19985146 0.84 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL22907690 0.84 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL6137734 0.81 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL4761869 0.81 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL4763337 0.81 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL6642966 0.81 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN 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-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 IDO1 1179/4885GSK3B 242/4885ALDH1A1 2405/4885

“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.