SCHEMBL24624656

SCHEMBL24624656

Bc1nc(NC(=O)O)sc1C(C)CCCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.40
PSEN2 P49810 11/20 0.40
APH1B Q8WW43 11/20 0.40
NCSTN Q92542 11/20 0.40
APH1A Q96BI3 11/20 0.40
PSENEN Q9NZ42 11/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL24599434 0.95 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24599347 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24599356 0.79 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1255728 0.68 KDM4E (0.47) POLBSMN1; SMN2MAPTPKMNPC1
SCHEMBL24624393 0.67 PIK3CD (0.46) MAPTNPC1RAB9A
SCHEMBL24624557 0.66 GPR84 (0.37) POLBRAB9AKMT2A
SCHEMBL24599388 0.63 ALDH1A1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22532336 0.62 TSHR (0.41) SMN1; SMN2MAPTHTTPKMNPC1
SCHEMBL24599484 0.61 ALDH1A1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15939461 0.61 ALDH1A1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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-11542262-B2 Phosphatidylinositol 3-kinase inhibitors NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-01-03 US disclosed
US-20220220113-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2022-07-14 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 (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-11542262-B2 Phosphatidylinositol 3-kinase inhibitors PI4KB, PI4KA, PIK3CD PSEN1 3482/4885PSEN2 3211/4885APH1B 1613/4885
US-20220220113-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD PSEN1 3482/4885PSEN2 3211/4885APH1B 1613/4885

“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.