SCHEMBL4373670

SCHEMBL4373670

S=C=Nc1ccc(Cl)c(OCCCl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.37
ALDH1A1 P00352 4/20 0.36
USP2 O75604 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
MIF P14174 1/20 0.32
TSHR P16473 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
SCHEMBL13861946 0.85 L3MBTL1 (0.43) P2RY6ALDH1A1USP2MAPTHPGD
SCHEMBL13861954 0.79 TSHR (0.53) ALDH1A1CYP2C9CYP2C19POLBL3MBTL1
SCHEMBL14878919 0.79 ALDH1A1 (0.38) ALDH1A1USP2MAPTHPGDMAPK1
SCHEMBL26099141 0.76 MAPK1 (0.36) P2RY6ALDH1A1MAPTMAPK1MEN1
SCHEMBL7572810 0.76 ADRA2A (0.42) P2RY6ALDH1A1MAPTHPGDMAPK1
SCHEMBL13861940 0.74 NPC1 (0.40) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4369110 0.74 NPC1 (0.40) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4365633 0.74 SRC (0.41) CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL25221126 0.73 SLC1A5 (0.38) P2RY6ALDH1A1USP2MAPTHPGD
SCHEMBL4369157 0.72 CHRNB4 (0.48)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS P2RY6 1508/4885ALDH1A1 255/4885USP2 3982/4885

“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.