SCHEMBL14329988

SCHEMBL14329988

CC(=O)OCCOCCN1C(=O)c2cccc3c(N=[N+]=[N-])ccc(c23)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.43
▸ KMT2A Q03164 9/20 0.43
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ HTT P42858 2/20 0.39
▸ CRHBP P24387 2/20 0.39
▸ CRHR2 Q13324 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL19465763 0.86 MEN1 (0.46) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL19465764 0.85 MEN1 (0.38) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL19465765 0.82 POLB (0.41) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL14329995 0.82 KEAP1 (0.57) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL15383768 0.78 MEN1 (0.57) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL28566950 0.78 HEXA (0.57) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL30003710 0.78 CYP1B1 (0.58) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL15886144 0.78 CYP1B1 (0.58) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL14329987 0.76 KMT2A (0.55) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL14463546 0.74 SIRT1 (0.61) MEN1KMT2AMAPTPOLBL3MBTL1

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-9212189-B2 Fluorescent probes for reactive sulfur species THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-15 — — US disclosed
US-9212189-B2 Fluorescent probes for reactive sulfur species THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-15 — — US disclosed
US-20120329085-A1 FLUORESCENT PROBES FOR REACTIVE SULFUR SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 — — US disclosed
US-20120329085-A1 FLUORESCENT PROBES FOR REACTIVE SULFUR SPECIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 — — 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-20120329085-A1 FLUORESCENT PROBES FOR REACTIVE SULFUR SPECIES SQOR, CBS, CTH MEN1 3197/4885KMT2A 4427/4885MAPT 3936/4885

“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.

Send feedback