SCHEMBL19780049

SCHEMBL19780049

CCOC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1N

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
LMNA P02545 3/20 0.67
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
KLKB1 P03952 2/20 0.51
HTT P42858 1/20 0.50
TSHR P16473 4/20 0.49
MEN1 O00255 2/20 0.46
HPGD P15428 3/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL19780055 0.88 KMT2A (0.54) NPC1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL19780369 0.85 KLKB1 (0.61) NPC1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL16166249 0.85 NPC1 (0.83) NPC1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL19780060 0.84 KLKB1 (0.51) NPC1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL19779775 0.81 KLKB1 (0.49) NPC1LMNASMN1; SMN2KMT2AKLKB1
SCHEMBL19780635 0.80 KLKB1 (0.44) NPC1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL4832108 0.79 NPC1 (0.81) NPC1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL16166267 0.78 NPC1 (0.65) NPC1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL19780039 0.78 KLKB1 (0.46) ALDH1A1SMN1; SMN2KMT2AKLKB1TSHR
SCHEMBL370942 0.78 LMNA (0.80) NPC1LMNAALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
US-20180297984-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-10-18 US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 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 (5 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-20180297984-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NPC1 959/4885LMNA 2032/4885ALDH1A1 1717/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NPC1 959/4885LMNA 2032/4885ALDH1A1 1717/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 NPC1 959/4885LMNA 2032/4885ALDH1A1 1717/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 NPC1 959/4885LMNA 2032/4885ALDH1A1 1717/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 NPC1 959/4885LMNA 2032/4885ALDH1A1 1717/4885

“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.