SCHEMBL26978298

SCHEMBL26978298

O=C(CNc1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
AGTR1 P30556 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
AKR1C3 P42330 1/20 0.54
HSD11B1 P28845 1/20 0.54
GSK3B P49841 1/20 0.53
PDPK1 O15530 1/20 0.51
MMP1 P03956 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL19707556 0.94 RAB9A (0.61) PTPN1NPC1RAB9AALDH1A1HPGD
SCHEMBL27676491 0.84 RHOC (0.53) PTPN1NPC1RAB9AALDH1A1HPGD
SCHEMBL593746 0.82 AKR1C3 (0.73) PTPN1NPC1RAB9AALDH1A1HPGD
SCHEMBL6201893 0.81 ALDH1A1 (0.59) PTPN1NPC1RAB9AALDH1A1HPGD
SCHEMBL22130998 0.81 PTPN1 (0.71) PTPN1NPC1RAB9AALDH1A1HPGD
SCHEMBL23014264 0.81 PTPN1 (0.57) PTPN1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28512358 0.80 RAB9A (0.61) PTPN1NPC1RAB9AALDH1A1HPGD
SCHEMBL8987260 0.79 NPC1 (0.59) PTPN1NPC1RAB9AALDH1A1HSD11B1
SCHEMBL9407545 0.79 HDAC4 (0.62) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL9768118 0.79 P2RX1 (0.49) PTPN1NPC1RAB9AGSK3BMMP1

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-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-01-04 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-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS PEBP1, ALOX15, ALOX15B PTPN1 4392/4885NPC1 1408/4885RAB9A 2624/4885

“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.