SCHEMBL18458757

SCHEMBL18458757

COC(=O)c1cc(C)c2ncc(C)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
PSMD14 O00487 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 1/20 0.45
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL25114201 0.86 KDM4E (0.50) ATMPSMD14KDM4EALDH1A1CCR1
SCHEMBL18458802 0.85 PSMD14 (0.44) ATMPSMD14KDM4EALDH1A1TDP1
SCHEMBL17442622 0.85 ATM (0.51) ATMPSMD14KDM4EALDH1A1CCR1
SCHEMBL23196190 0.85 PSMD14 (0.44) ATMPSMD14KDM4EALDH1A1TDP1
SCHEMBL23905404 0.85 ATM (0.47) ATMPSMD14KDM4EALDH1A1CCR1
SCHEMBL23195624 0.82 HCAR2 (0.46) PSMD14KDM4EALDH1A1CCR1CCR5
SCHEMBL18371184 0.81 MAPT (0.47) ATMPSMD14KDM4EL3MBTL1MAPK1
SCHEMBL23196217 0.81 ATM (0.44) ATMPSMD14KDM4EALDH1A1L3MBTL1
SCHEMBL23905543 0.79 ATM (0.42) ATMPSMD14KDM4EALDH1A1CCR1
SCHEMBL25687961 0.78 ATM (0.41) ATMPSMD14KDM4EALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 US disclosed
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 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 (11 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-10308637-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 ATM 1219/4885PSMD14 1813/4885KDM4E 798/4885

“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.