SCHEMBL743892

SCHEMBL743892

O=C(O)c1cncc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.51
ACACA Q13085 1/20 0.51
HDAC3 O15379 6/20 0.51
HDAC4 P56524 6/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC10 Q969S8 6/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC6 Q9UBN7 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
HDAC5 Q9UQL6 6/20 0.51
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40

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
Hydrochloric Acid SCHEMBL308556 0.99 ACACB (0.51) ACACBACACAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL308992 0.99 ACACB (0.51) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL742166 0.92 HDAC3 (0.49) ACACBACACAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL731480 0.91 HDAC3 (0.48) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL308967 0.89 HDAC3 (0.49) ACACBACACAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL308257 0.88 HDAC3 (0.48) ACACBACACAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL309850 0.88 HDAC3 (0.48) ACACBACACAHDAC3HDAC4HDAC1
SCHEMBL741151 0.86 HDAC3 (0.53) ACACBACACAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL309102 0.85 HDAC3 (0.53) ACACBACACAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL308406 0.84 HDAC3 (0.49) ACACBACACAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088689-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 ACACB 77/4885ACACA 18/4885HDAC3 107/4885

“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.