SCHEMBL15420836

SCHEMBL15420836

O=C(O)N(Cc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
SERPINE1 P05121 9/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL15420839 1.00 CYP19A1 (0.45) CYP19A1SERPINE1MAPTALDH1A1HTT
SCHEMBL18040373 0.91 SERPINE1 (0.44) CYP19A1SERPINE1MAPTALDH1A1HTT
SCHEMBL2720586 0.91 SERPINE1 (0.44) CYP19A1SERPINE1MAPTALDH1A1HTT
SCHEMBL45557 0.90 SERPINE1 (0.40) CYP19A1SERPINE1MAPTALDH1A1HTT
SCHEMBL46764 0.83 MET (0.46) CYP19A1SERPINE1MAPTALDH1A1HTT
SCHEMBL40161 0.83 SERPINE1 (0.41) CYP19A1SERPINE1MAPTALDH1A1HTT
SCHEMBL39772 0.82 SERPINE1 (0.47) SERPINE1MAPTALDH1A1HTTTDP1
SCHEMBL40152 0.81 SERPINE1 (0.50) SERPINE1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL40086 0.81 SERPINE1 (0.47) SERPINE1MAPTALDH1A1HTTTDP1
SCHEMBL44681 0.79 KCNQ2 (0.37) MEN1KMT2AKDM4E

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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CYP19A1 3997/4885SERPINE1 2313/4885MAPT 3270/4885

“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.