SCHEMBL17737257

SCHEMBL17737257

CCO[Si](CCCNC(=O)c1cc([N+](=O)[O-])ccc1I)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PPARG P37231 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MGLL Q99685 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
RORC P51449 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
SCHEMBL7237555 0.83 MAPT (0.54) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL17737210 0.81 NPC1 (0.50) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL1558275 0.81 MAPT (0.58) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL17737250 0.81 POLB (0.48) MAPTNPC1RAB9APPARGKMT2A
SCHEMBL5477871 0.79 GAA (0.53) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL14865306 0.79 PKM (0.54) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL5713380 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNA
SCHEMBL5713303 0.76 HTT (0.54) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL29606242 0.75 MAPT (0.52) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL6275597 0.74 HTT (0.58) MAPTNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9638690-B2 Compounds and compositions for use as alkylating agent sensors and methods of use thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-05-02 US disclosed
US-20160131641-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS ALKYLATING AGENT SENSORS AND METHODS OF USE THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-05-12 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-20160131641-A1 COMPOUNDS AND COMPOSITIONS FOR USE AS ALKYLATING AGENT SENSORS AND METHODS OF USE THEREOF MGMT, MCL1, OGG1 MAPT 4487/4885NPC1 4446/4885RAB9A 3999/4885

“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.