SCHEMBL21084142

SCHEMBL21084142

O=C(O)c1ccc2c(c1)C[C@]1(CCCNC1=O)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.44
CALCRL Q16602 2/20 0.42
TDP2 O95551 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
GRM1 Q13255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
SRD5A2 P31213 2/20 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
SCHEMBL21084108 1.00 KDM4E (0.48) KDM4EMAPTALDH1A1CALCRLTDP2
SCHEMBL19718108 1.00 KDM4E (0.48) KDM4EMAPTALDH1A1CALCRLTDP2
SCHEMBL19718094 0.92 KDM4E (0.43) KDM4EMAPTALDH1A1CALCRLTDP2
SCHEMBL19718097 0.92 KDM4E (0.43) KDM4EMAPTALDH1A1CALCRLTDP2
SCHEMBL19718109 0.92 KDM4E (0.43) KDM4EMAPTALDH1A1CALCRLTDP2
SCHEMBL18144867 0.91 KDM4E (0.48) KDM4EMAPTALDH1A1CALCRLTDP2
SCHEMBL18144929 0.91 KDM4E (0.48) KDM4EMAPTALDH1A1CALCRLTDP2
SCHEMBL21123789 0.84 CALCRL (0.42) MAPTALDH1A1CALCRLTDP1MEN1
SCHEMBL19718133 0.84 CALCRL (0.42) MAPTALDH1A1CALCRLTDP1MEN1
SCHEMBL21123556 0.84 CALCRL (0.42) MAPTALDH1A1CALCRLTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230414585-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. 2023-12-28 US disclosed
US-11730721-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors VALO HEALTH, INC. (US) 2023-08-22 US disclosed
US-20210186940-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS VALO HEALTH, INC. 2021-06-24 US disclosed
US-10874649-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-12-29 US disclosed
US-20200121655-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS Valo Health, LLC 2020-04-23 US disclosed
EP-3472131-B1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-19 EP disclosed
US-10555935-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2020-02-11 US disclosed
US-20190201384-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS Valo Health, LLC 2019-07-04 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 (7 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-20230414585-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS HDAC5, HDAC2, HDAC1 KDM4E 880/4885MAPT 709/4885ALDH1A1 153/4885
US-20210186940-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS HDAC5, HDAC2, HDAC1 KDM4E 880/4885MAPT 709/4885ALDH1A1 153/4885
US-10874649-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors HDAC5, HDAC2, HDAC1 KDM4E 880/4885MAPT 709/4885ALDH1A1 153/4885
US-10555935-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors HDAC5, HDAC2, HDAC1 KDM4E 880/4885MAPT 709/4885ALDH1A1 153/4885
US-20190201384-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS HDAC5, HDAC2, HDAC1 KDM4E 880/4885MAPT 709/4885ALDH1A1 153/4885
US-20200121655-A1 2-SPIRO-5- AND 6-HYDROXAMIC ACID INDANES AS HDAC INHIBITORS HDAC5, HDAC2, HDAC1 KDM4E 880/4885MAPT 709/4885ALDH1A1 153/4885
US-11730721-B2 2-spiro-5- and 6-hydroxamic acid indanes as HDAC inhibitors HDAC5, HDAC2, HDAC1 KDM4E 880/4885MAPT 709/4885ALDH1A1 153/4885

“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.