SCHEMBL18366875

SCHEMBL18366875

COC(=O)c1ncn(Cc2cccc(Cl)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ NOTUM Q6P988 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ CACNA1I Q9P0X4 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KLKB1 P03952 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KLK1 P06870 1/20 0.43

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
SCHEMBL30587560 1.00 HDAC1 (0.48) HDAC1HDAC6MAPTNOTUMKMT2A
SCHEMBL1414421 0.87 KLKB1 (0.50) HDAC1HDAC6NOTUMSMN1; SMN2KLKB1
SCHEMBL18366907 0.85 RAB9A (0.48) HDAC1HDAC6MAPTNOTUMKMT2A
SCHEMBL18366896 0.85 L3MBTL1 (0.47) HDAC1HDAC6MAPTKMT2ASMN1; SMN2
SCHEMBL30587599 0.85 L3MBTL1 (0.47) HDAC1HDAC6MAPTKMT2ASMN1; SMN2
SCHEMBL18366879 0.84 HDAC1 (0.49) HDAC1HDAC6MAPTTP53CACNA1G
SCHEMBL30092734 0.84 HDAC1 (0.49) HDAC1HDAC6MAPTTP53CACNA1G
SCHEMBL24311065 0.83 KDM4E (0.52) HDAC1HDAC6KMT2ASMN1; SMN2LMNA
SCHEMBL19224666 0.82 RIPK1 (0.52) —
SCHEMBL29415736 0.82 RIPK1 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 — — CN disclosed
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 — — CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 — — US disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 — — CN disclosed
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 — — CN disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 HDAC1 256/4885HDAC6 786/4885MAPT 4330/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HDAC1 256/4885HDAC6 786/4885MAPT 4330/4885

“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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