SCHEMBL3343017

SCHEMBL3343017

C=CCOc1cc(Cl)c(/C(N)=N/O)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
HTR2C P28335 6/20 0.40
HTR2B P41595 4/20 0.40
HTR2A P28223 4/20 0.40
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PPOX P50336 4/20 0.36
LIG1 P18858 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3343021 1.00 GAA (0.40) GAATSHRHTR2CHTR2BHTR2A
SCHEMBL3340569 0.78 ALDH1A1 (0.49) GAATSHRNPC1RAB9AHPGD
SCHEMBL3340572 0.78 ALDH1A1 (0.49) GAATSHRNPC1RAB9AHPGD
SCHEMBL30997962 0.77 LIG1 (0.55) GAATSHRHTR2AHSD17B10HPGD
SCHEMBL2478229 0.77 GAA (0.61) GAATSHRHTR2CHTR2BHTR2A
SCHEMBL10399423 0.75 HTR2C (0.51) GAATSHRHTR2CHTR2BHTR2A
SCHEMBL30826232 0.75 HTR2C (0.51) GAATSHRHTR2CHTR2BHTR2A
SCHEMBL13303861 0.74 GAA (0.51) GAANPC1RAB9AHPGDMAPK1
SCHEMBL3342632 0.74 USP2 (0.35) GAALMNA
SCHEMBL3342629 0.74 USP2 (0.35) GAALMNA

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-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 GAA 4315/4885TSHR 730/4885HTR2C 475/4885

“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.