SCHEMBL14650799

SCHEMBL14650799

ClNCc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
NCF1 P14598 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FERMT2 Q96AC1 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
FAAH O00519 1/20 0.42
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 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
SCHEMBL1253989 0.81 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28879838 0.81 LOXL2 (0.63) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5550374 0.81 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL19563549 0.79 HTR1A (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6155906 0.78 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL269209 0.78 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1040581 0.78 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL996284 0.78 LOXL2 (0.64) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL24185941 0.77 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL10133342 0.77 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B

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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 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 (2 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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 LOXL2 4134/4885HTR1A 789/4885ADRA1D 65/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 LOXL2 4134/4885HTR1A 789/4885ADRA1D 65/4885

“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.