SCHEMBL15517487

SCHEMBL15517487

CCOC(=O)c1cc(C(C)C)nn1-c1cccc(CCl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GAA P10253 1/20 0.48
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 3/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDE4D Q08499 2/20 0.40
PDE4B Q07343 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39

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
SCHEMBL15518413 0.91 ALDH1A1 (0.50) ALDH1A1GAASCN9ASMN1; SMN2POLB
SCHEMBL19750044 0.86 ALDH1A1 (0.45) ALDH1A1GAASCN9ASMN1; SMN2POLB
SCHEMBL25541024 0.86 ALDH1A1 (0.52) ALDH1A1GAASCN9ASMN1; SMN2POLB
SCHEMBL15516834 0.86 ALDH1A1 (0.45) ALDH1A1GAASCN9ASMN1; SMN2POLB
SCHEMBL15517367 0.84 ALDH1A1 (0.44) ALDH1A1SCN9ASMN1; SMN2POLBKMT2A
SCHEMBL2923609 0.84 ALDH1A1 (0.50) ALDH1A1GAASCN9ASMN1; SMN2POLB
SCHEMBL15516042 0.83 GRN (0.49) ALDH1A1GAASCN9ASMN1; SMN2POLB
SCHEMBL20503042 0.83 ALDH1A1 (0.55) ALDH1A1GAASCN9APOLBKMT2A
SCHEMBL20015660 0.81 SCN9A (0.42) ALDH1A1SCN9ASMN1; SMN2POLBKMT2A
SCHEMBL20028223 0.81 KMT2A (0.53) ALDH1A1SCN9ASMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796742-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-24 US disclosed
EP-2890460-B1 KINASE INHIBITORS RESPIVERT LTD (GB) 2017-02-22 EP disclosed
US-20160340375-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-11-24 US disclosed
US-20150210722-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2015-07-30 US disclosed
EP-2890460-A1 KINASE INHIBITORS Respivert Limited (GB) 2015-07-08 EP disclosed
WO-2014033446-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-03-06 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 (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-20150210722-A1 KINASE INHIBITORS SYK, SRC, LYN ALDH1A1 2702/4885GAA 1725/4885SCN9A 2569/4885
US-20160340375-A1 KINASE INHIBITORS SYK, LYN, BTK ALDH1A1 2639/4885GAA 1883/4885SCN9A 2848/4885

“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.