SCHEMBL26251997

SCHEMBL26251997

CN1CCCC(NC(=O)C(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
ALDH1A1 P00352 2/20 0.53
SIGMAR1 Q99720 1/20 0.42
SSTR4 P31391 5/20 0.41
SSTR1 P30872 4/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
CHEK1 O14757 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL22643850 0.89 ALDH1A1 (0.56) CA1CA2CA12CA9ALDH1A1
SCHEMBL13242300 0.89 ALDH1A1 (0.56) CA1CA2CA12CA9ALDH1A1
SCHEMBL12208908 0.81 ALDH1A1 (0.49) CA1CA2CA12CA9ALDH1A1
SCHEMBL27718608 0.80 KDM4E (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL29372567 0.80 KDM4E (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL9790160 0.80 CA1 (0.57) CA1CA2CA12CA9ALDH1A1
SCHEMBL10061696 0.80 CA1 (0.57) CA1CA2CA12CA9ALDH1A1
SCHEMBL14645713 0.80 KDM4E (0.47) CA1CA2CA12CA9ALDH1A1
SCHEMBL10211551 0.80 CA1 (0.57) CA1CA2CA12CA9ALDH1A1
SCHEMBL25587363 0.80 CA12 (0.53) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 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-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 CA1 4736/4885CA2 4305/4885CA12 4722/4885

“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.