SCHEMBL3369806

SCHEMBL3369806

COc1cc(Cl)c(C(=N)NO)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3341323 0.85 NPC1 (0.42) GAANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL3343024 0.74 LIG1 (0.44) GAANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL2476221 0.74 GAA (0.62) GAASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL3340478 0.74 TYK2 (0.51) GAANPC1ALDH1A1POLBMAPT
SCHEMBL19378588 0.74 LMNA (0.53) GAANPC1ALDH1A1KMT2AMEN1
SCHEMBL17063811 0.74 JAK2 (0.52) GAANPC1SMN1; SMN2ALDH1A1KMT2A
Chloroneb SCHEMBL22739 0.73 GAA (0.64) GAANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL13184244 0.72 KDM4E (0.39) GAANPC1SMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL28439646 0.72 JAK2 (0.51) GAANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2775341 0.72 LMNA (0.51) GAANPC1SMN1; SMN2POLBKMT2A

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 1 patent. 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

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 4315/4885NPC1 241/4885SMN1; SMN2 2046/4885

“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.