SCHEMBL28932271

SCHEMBL28932271

O=C1N=C(c2ccc(F)cc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 1/20 0.50
PDE3B Q13370 8/20 0.43
PDE3A Q14432 8/20 0.43
PTGS1 P23219 3/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MAOB P27338 1/20 0.40
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
GRK2 P25098 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NOTUM Q6P988 1/20 0.37
MEN1 O00255 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
SCHEMBL31541479 0.81 NPC1 (0.38) NPC1MAPTRAB9AHTTPDE3B
SCHEMBL28684618 0.81 NPC1 (0.46) NPC1MAPTRAB9AHTTPDE3B
SCHEMBL28677904 0.79 PDE3B (0.51) PDE3BPDE3APTGS1NOTUM
SCHEMBL1570052 0.77 MAPT (0.37) NPC1MAPTRAB9AHTTESR1
SCHEMBL28698601 0.77 NOTUM (0.41) NPC1MAPTRAB9AHTTESR1
SCHEMBL8828114 0.73
SCHEMBL29367825 0.73 PDE3A (0.46) NPC1MAPTRAB9AHTTPDE3B
SCHEMBL28702888 0.73 PDE3A (0.46) NPC1MAPTRAB9AHTTPDE3B
SCHEMBL28683149 0.70 PDE3B (0.47) PDE3BPDE3AMAOBPOLBNOTUM
SCHEMBL66437 0.69 PTGS1 (0.42) NPC1MAPTRAB9AHTTPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-10-09 US disclosed
EP-4553069-A1 ALPHA,ß-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-05-14 EP disclosed
CN-113999131-B Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-06-28 CN disclosed
CN-113999131-A Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-02-01 CN 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-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF DEGS1, ACAD11, HADHA NPC1 131/4885MAPT 245/4885RAB9A 4007/4885

“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.