SCHEMBL29769204

SCHEMBL29769204

Cc1ccc2c(c1)cc(C)n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.57
▸ RXFP1 Q9HBX9 2/20 0.57
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ THRB P10828 3/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2A6 P11509 2/20 0.46
▸ ALOX15 P16050 3/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ S100A4 P26447 1/20 0.44

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
SCHEMBL5985980 1.00 MAPT (0.57) MAPTRXFP1MEN1KMT2AKDM4E
SCHEMBL11084209 0.89 BRPF1 (0.51) MAPTRXFP1MEN1KMT2AKDM4E
SCHEMBL5986735 0.82 MAPT (0.52) MAPTRXFP1MEN1KMT2AKDM4E
SCHEMBL26435742 0.80 CYP1A2 (0.44) MAPTRXFP1MEN1KMT2AKDM4E
SCHEMBL2382747 0.78 MCL1 (0.56) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL4378545 0.78 MEN1 (0.57) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL435737 0.78 RXFP1 (0.47) MAPTRXFP1MEN1KMT2AKDM4E
SCHEMBL3481207 0.78 BRPF1 (0.62) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL8040679 0.78 ALDH1A1 (0.56) MAPTRXFP1MEN1KMT2AKDM4E
SCHEMBL31036167 0.78 BRPF1 (0.62) MAPTMEN1KMT2AKDM4ETDP1

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
CN-115974845-B Preparation method of Ornitinib intermediate 奥锐特药业股份有限公司 2024-09-20 — — CN disclosed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 — — US disclosed
CN-115974845-A Preparation method of oxitinib intermediate 奥锐特药业股份有限公司 2023-04-18 — — CN disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 — — 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 (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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT MAPT 3611/4885RXFP1 4522/4885MEN1 4186/4885

“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.

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