SCHEMBL19783877

SCHEMBL19783877

c1cc(-n2cnnn2)ccc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.56
MAPT P10636 2/20 0.56
F2 P00734 1/20 0.56
KCNJ1 P48048 2/20 0.53
ALDH1A1 P00352 5/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.48
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 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
SCHEMBL12615985 0.82 NOTUM (0.78) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL16122204 0.79 NOTUM (0.53) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL17470882 0.79 NOTUM (0.53) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL1741532 0.76 NOTUM (0.50) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL6360574 0.73 CHRNB2 (0.48) NOTUMF2ALDH1A1HPGDTDP1
SCHEMBL4778151 0.73 NOTUM (0.50) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL311636 0.72 MAPT (1.00) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL1163779 0.72 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL11831417 0.72 NOTUM (0.64) NOTUMMAPTF2KCNJ1ALDH1A1
SCHEMBL82595 0.72 MAPT (0.69) NOTUMMAPTF2KCNJ1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2018-01-18 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 (1 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-20180016263-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, SLC9A1 NOTUM 4300/4885MAPT 4238/4885F2 4736/4885

“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.