SCHEMBL5906366

SCHEMBL5906366

CC(C)c1oc2ccc(NC(=O)c3ccccc3)nc2c1CCN(C)Cc1cnoc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.45
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
F10 P00742 8/20 0.34
HDAC1 Q13547 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL8552304 0.84 CA9 (0.39) HDAC1
SCHEMBL6641956 0.72 HTR1F (0.81) HTR1FNPC1RAB9AALDH1A1KMT2A
SCHEMBL5906460 0.71 HTR1F (0.59) HTR1FNPC1RAB9AHDAC1ALDH1A1
Oxalic Acid SCHEMBL6648004 0.64 HTR1F (0.51) HTR1FNPC1RAB9AALDH1A1KMT2A
SCHEMBL2570298 0.59 KMT2A (0.70) NPC1RAB9AKMT2AMEN1ATM
Oxalic Acid SCHEMBL6806129 0.58 HTR1F (0.63) HTR1FNPC1RAB9AALDH1A1KMT2A
SCHEMBL38661985 0.58 BRD4 (0.50) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL6641025 0.58 HTR1F (0.71) HTR1F
SCHEMBL25676392 0.57 KMT2A (0.70) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL26785568 0.56 DEGS1 (0.68) NPC1RAB9AALDH1A1KMT2AMEN1

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
US-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
US-6696439-B1 HETEROCYCLIC IMINES SUCH AS 2-METHYL-3-(2-(N',N'-DIETHYLAMINO) ETHYL)-5-(4-PROPANESULFONYLBENZAMIDE)FURO(3,2-B)PYRIDINE, HYDROCHLORIDE, USED AS SEROTONIN RECEPTOR ANTAGONISTS FOR PROPHYLAXIS OF HEADACHES ELI LILLY AND COMPANY 2004-02-24 US disclosed
EP-1155020-B1 FURO[3,2-B]PYRIDINES AS 5-HT1F AGONISTS LILLY CO ELI (US) 2004-02-04 EP 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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E HTR1F 1/4885NPC1 840/4885RAB9A 3097/4885

“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.