SCHEMBL18369634

SCHEMBL18369634

COC(=O)c1ccc2nc(C)c(Cl)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TP53 P04637 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PI4KB Q9UBF8 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RHEB Q15382 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NFKB1 P19838 1/20 0.45

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
SCHEMBL23756437 0.86 HTT (0.54) HTTALOX15TP53ALDH1A1L3MBTL1
SCHEMBL31428460 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL24976117 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL23774957 0.84 HTT (0.51) HTTALOX15TP53ALDH1A1L3MBTL1
SCHEMBL18370845 0.84 HTT (0.51) HTTALOX15TP53ALDH1A1L3MBTL1
SCHEMBL22095171 0.83 HTT (0.54) HTTALOX15TP53ALDH1A1L3MBTL1
SCHEMBL18423031 0.83 TDP1 (0.62) HTTALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL31544152 0.82 HTT (0.52) HTTALOX15TP53ALDH1A1L3MBTL1
SCHEMBL25519701 0.81 HTT (0.49) HTTALOX15TP53ALDH1A1L3MBTL1
SCHEMBL10627567 0.79 TDP1 (0.66) HTTALOX15TP53ALDH1A1L3MBTL1

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
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 — — 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-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 — — US disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 — — 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 (4 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 HTT 4060/4885ALOX15 269/4885TP53 4261/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 HTT 4060/4885ALOX15 269/4885TP53 4261/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 HTT 4060/4885ALOX15 269/4885TP53 4261/4885
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 HTT 4060/4885ALOX15 269/4885TP53 4261/4885

“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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