SCHEMBL19997307

SCHEMBL19997307

CCC(=O)c1cnn2cc(OC)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EIF4A3 P38919 1/20 0.41
LCK P06239 1/20 0.41
CSK P41240 1/20 0.41
PDE2A O00408 7/20 0.40
MGLL Q99685 1/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17323234 0.85 LCK (0.46) EIF4A3LCKCSKPDE2AMGLL
SCHEMBL24247786 0.84 NR1I2 (0.39) MEN1KMT2APDE2AROCK2HPGD
SCHEMBL21816255 0.84 KDM4E (0.46) EIF4A3LCKCSKPDE2AMGLL
SCHEMBL15881990 0.83 MAPT (0.46) LCKCSKKDM4EHPGDALDH1A1
SCHEMBL20646858 0.82 PDE2A (0.37) LCKCSKPDE2AROCK2KDM4E
SCHEMBL3616031 0.82 LCK (0.45) MEN1KMT2AEIF4A3LCKCSK
SCHEMBL23889082 0.82 PDE2A (0.38) MEN1KMT2APDE2AROCK2ALDH1A1
SCHEMBL24247778 0.82 ROCK2 (0.46) PDE2AROCK2KDM4EALDH1A1HSD17B10
SCHEMBL23889073 0.81 PARP10 (0.38) PDE2AMGLLROCK2KDM4EALDH1A1
SCHEMBL21947201 0.81 HPGD (0.41) MEN1KMT2ALCKKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA MEN1 353/4885KMT2A 1848/4885EIF4A3 4527/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MEN1 353/4885KMT2A 1848/4885EIF4A3 4527/4885

“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.