SCHEMBL27098457

SCHEMBL27098457

Cc1cncc2c1NCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ NNMT P40261 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL25450371 0.77 SIGMAR1 (0.33) SIGMAR1NNMTLMNACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL21331756 0.76 NNMT (0.37) SIGMAR1NNMTCHRNB2CHRNA4SRC
SCHEMBL10912832 0.71 KDM4E (0.41) UHRF1HSD17B10KDM4EALDH1A1GAA
SCHEMBL342322 0.71 SRC (0.49) UHRF1KDM4EALDH1A1LMNAHPGD
SCHEMBL3985900 0.70 NNMT (0.50) SIGMAR1NNMTKDM4EMAPTTDP1
SCHEMBL13174575 0.69 CYP11B2 (0.40) SIGMAR1CYP11B2DRD4
SCHEMBL13174599 0.69 CYP11B2 (0.43) SIGMAR1ACHEMEN1KMT2ACYP11B2
SCHEMBL2600505 0.68 ROCK2 (0.36) UHRF1NNMT
SCHEMBL9394262 0.68 ALDH1A1 (0.39) UHRF1NNMTHSD17B10KDM4EALDH1A1
SCHEMBL22702928 0.68 KDM4E (0.39) UHRF1HSD17B10KDM4EALDH1A1GAA

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-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 — — 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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 UHRF1 2277/4885SIGMAR1 3391/4885NNMT 2198/4885

“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.

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