SCHEMBL17737250

SCHEMBL17737250

CCO[Si](CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cc1ccncc1)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MAPT P10636 4/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.40
MMP13 P45452 1/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MPI P34949 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
SCHEMBL17737210 0.91 NPC1 (0.50) MAPTCYP19A1CYP11B1CYP11B2LMNA
SCHEMBL17742331 0.86 POLB (0.47) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL17737257 0.81 MAPT (0.45) POLBMAPTLMNANPC1RAB9A
SCHEMBL17737230 0.77 SMN1; SMN2 (0.51) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL17737256 0.77 CYP19A1 (0.54) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL17737211 0.77 CYP19A1 (0.43) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL1558275 0.76 MAPT (0.58) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL17737225 0.74 POLB (0.56) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL18798645 0.74 TDP1 (0.51) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL5477871 0.73 GAA (0.53) POLBMAPTLMNAHPGDATM

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 POLB 228/4885MAPT 4487/4885CYP19A1 2038/4885

“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.