SCHEMBL3593834

SCHEMBL3593834

O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
CES2 O00748 2/20 0.46
P2RX1 P51575 2/20 0.45
MAOB P27338 2/20 0.44
TACR1 P25103 2/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19243172 0.88 MAOB (0.59) HSP90AA1CES2P2RX1MAOBMAPT
SCHEMBL19033787 0.77 HSP90AA1 (0.63) HSP90AA1CES2MAOBCYP1B1NPC1
SCHEMBL977997 0.77 HSP90AA1 (0.63) HSP90AA1CES2MAOBCYP1B1NPC1
SCHEMBL3923560 0.73 HSP90AA1 (0.54) HSP90AA1CES2MAOBNPC1RAB9A
SCHEMBL20677772 0.73 HSP90AA1 (0.58) HSP90AA1CES2NPC1RAB9AALDH1A1
SCHEMBL16126217 0.73 HSP90AA1 (0.46) HSP90AA1
SCHEMBL25634947 0.72 P2RX1 (0.49) CES2P2RX1TACR1RXRARXRB
SCHEMBL9541838 0.71 IDO1 (0.44) P2RX1MAOBTACR1CNR1CNR2
SCHEMBL20677796 0.71 HSP90AA1 (0.56) HSP90AA1CYP1A1CYP1B1NPC1RAB9A
SCHEMBL19243169 0.71 MEN1 (0.57) HSP90AA1CES2CYP1A1CYP1B1NPC1

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-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
US-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-29 US disclosed
EP-2125790-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-12-02 EP disclosed
WO-2008087178-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-07-24 WO 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-20100105689-A1 NOVEL 1,4- AND 1,5-DIARYLSUBSTITUTED 1,2,3-TRIAZOLES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNN3, KCNN2 HSP90AA1 2061/4885CES2 3165/4885P2RX1 218/4885

“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.