SCHEMBL3417563

SCHEMBL3417563

COCOc1cnccc1/C=N/O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
USP2 O75604 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL3417565 1.00 HPGD (0.38) HPGDTSHRMAPK1HSD17B10LMNA
SCHEMBL3416435 0.80 ALDH1A1 (0.38) HPGDTSHRLMNAHTTMAPT
Ethane SCHEMBL28051940 0.78 ALDH1A1 (0.37) HPGDLMNAHTTMAPTALDH1A1
SCHEMBL2161122 0.72 LMNA (0.41) HPGDHSD17B10LMNAHTTCCNT1
SCHEMBL15596168 0.72 CHRNB2 (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15858729 0.72 CHRNB4 (0.50) HPGDMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL6136966 0.72 CCNC (0.52) HPGDALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL6136963 0.72 CCNC (0.52) HPGDALDH1A1NPC1CYP1A2CYP3A4
SCHEMBL31139331 0.71 CYP11B1 (0.41) TSHRHSD17B10LMNAHASPINMAPT
SCHEMBL764171 0.70 CHRNB4 (0.33) CYP1A2CYP2C9CYP2C19

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-1554286-B1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2010-01-27 EP disclosed
US-7501418-B2 e.g. 3-[4-(2-Methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-2,5-dioxa-1,7-diaza-dicyclopenta[a,g]naphthalene; serotonine (5-HT) reuptake inhibitor, alpha 2-adrenoceptor antagonist; antidepressant, anxiolytic agent; Parkinson's disease, eating disorders, psychosis, obesity JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
US-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants JANSSEN-CILAG S.A. (ES) 2006-06-01 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-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants PARK7, HTR7, TPH2 HPGD 367/4885TSHR 437/4885MAPK1 3227/4885

“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.