SCHEMBL25584036

SCHEMBL25584036

CC(C)NCc1ccc2nccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.48
▸ ECE2 P0DPD6 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ MAP4K4 O95819 2/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PARP1 P09874 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL25588055 0.82 SHMT2 (0.43) SHMT2ECE2NPC1RAB9AALDH1A1
SCHEMBL16585598 0.79 SHMT2 (0.51) SHMT2ECE2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL2199916 0.78 SHMT2 (0.50) SHMT2ECE2NPC1RAB9AMAPT
SCHEMBL25588056 0.77 SHMT2 (0.53) SHMT2ECE2NPC1RAB9AALDH1A1
SCHEMBL25584926 0.76 SHMT2 (0.49) SHMT2ECE2NPC1RAB9AMAPT
SCHEMBL5547086 0.76 SHMT2 (0.51) SHMT2ECE2NPC1RAB9AALDH1A1
SCHEMBL5018922 0.76 GABRA1 (0.44) SHMT2ECE2NPC1RAB9AALDH1A1
SCHEMBL26697797 0.74 MEN1 (0.46) SHMT2NPC1RAB9AALDH1A1MAPT
SCHEMBL19764527 0.73 PARP1 (0.39) SLC2A1MAP4K4ALDH1A1MAPTKDM4E
SCHEMBL20621823 0.73 MEN1 (0.51) SLC2A1MAP4K4NPC1RAB9AALDH1A1

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-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 — — US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 — — 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM SHMT2 2974/4885ECE2 3988/4885SLC2A1 410/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM SHMT2 2974/4885ECE2 3988/4885SLC2A1 410/4885

“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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