SCHEMBL14458188

SCHEMBL14458188

O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
NFKB1 P19838 4/20 0.67
NFKB2 Q00653 4/20 0.67
RELA Q04206 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
PKM P14618 3/20 0.67
TP53 P04637 2/20 0.67
MAPT P10636 3/20 0.61
HTR2C P28335 3/20 0.61
HTR2A P28223 2/20 0.61
LMNA P02545 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAOB P27338 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.55

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
SCHEMBL2481583 0.87 HTR2A (0.64) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL28367602 0.86 NPC1 (0.72) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL9056673 0.84 HTR2C (0.57) SMN1; SMN2PKMMAPTHTR2CHTR2A
SCHEMBL20016692 0.83 P2RX1 (0.70) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL14477461 0.81 LMNA (0.56) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL382910 0.81 NPC1 (1.00) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL1574545 0.81 GRIN2B (0.56) RAB9AMAPTLMNAMEN1KMT2A
SCHEMBL3175847 0.80 HTR2C (0.63) SMN1; SMN2PKMMAPTHTR2CHTR2A
SCHEMBL6032387 0.80 MEN1 (0.60) SMN1; SMN2PKMTP53MAPTHTR2C
SCHEMBL4554056 0.79 MAPT (0.68) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 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-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 NPC1 186/4885RAB9A 2409/4885NFKB1 3811/4885

“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.