SCHEMBL26323660

SCHEMBL26323660

CC(C)(C)c1nc(N2CCCCC2)ncc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 1/20 0.43
ATF1 P18846 1/20 0.43
NFKB1 P19838 1/20 0.43
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
BCL6 P41182 1/20 0.39
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL18997062 0.84 KDM4E (0.48) ALDH1A1POLBKDM4ETSHRBCL6
SCHEMBL9170525 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBATF1NFKB1
SCHEMBL5562201 0.73 POLB (0.51) ALDH1A1SMN1; SMN2POLBHTTTSHR
SCHEMBL9906447 0.72 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL21718974 0.71 CHRNB2 (0.45) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL24349000 0.70 TMEM97 (0.39) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL4820737 0.70 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2POLBATF1NFKB1
SCHEMBL4812899 0.70 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2POLBATF1NFKB1
SCHEMBL9906408 0.70 MEN1 (0.40) ALDH1A1SMN1; SMN2POLBLMNAHTT
SCHEMBL12874013 0.69 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBATF1NFKB1

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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885SMN1; SMN2 4331/4885POLB 1589/4885

“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.