SCHEMBL3050995

SCHEMBL3050995

O=Cc1c(C(F)(F)F)nc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
NPC1 O15118 4/20 0.51
RAB9A P51151 2/20 0.51
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.38
POLB P06746 2/20 0.37
GFER P55789 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21863415 0.76 HSD17B10 (0.51) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL10012248 0.75 HSD17B10 (0.50) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL858446 0.75 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL12777904 0.75 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL18100968 0.75 HSD17B10 (0.50) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL1664765 0.75 KDM4E (0.64) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL31423761 0.74 HSD17B10 (0.50) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL3047813 0.74 KDM4E (0.47) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL23414621 0.73 HSD17B10 (0.53) ALDH1A1NPC1HSD17B10KDM4ESMN1; SMN2
SCHEMBL13377057 0.73 HSD17B10 (0.53) ALDH1A1NPC1HSD17B10KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 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 (5 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885NPC1 868/4885RAB9A 936/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885NPC1 212/4885RAB9A 1784/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885NPC1 868/4885RAB9A 936/4885
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 ALDH1A1 1186/4885NPC1 192/4885RAB9A 761/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885NPC1 868/4885RAB9A 936/4885

“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.