SCHEMBL4990231

SCHEMBL4990231

COc1ccc(-n2nc(C(=O)NC(C)(C)C)nc2-c2ccc(NS(C)(=O)=O)cn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SLC22A12 Q96S37 1/20 0.37
PTGS2 P35354 2/20 0.36
HTT P42858 3/20 0.35
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
SMO Q99835 1/20 0.34

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
SCHEMBL4984731 0.88 RAB9A (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4987655 0.86 P2RX7 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990555 0.86 MEN1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4988316 0.85 RAB9A (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990279 0.84 AR (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4984634 0.84 MEN1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4987232 0.83 AR (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990274 0.82 MEN1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4990652 0.82 HPGDS (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4986980 0.81 MEN1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R MEN1 2370/4885KMT2A 3245/4885NPC1 3524/4885

“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.