SCHEMBL10026501

SCHEMBL10026501

Cc1c(O[Si](C)(C)C(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 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
SCHEMBL26263547 0.86 ALDH1A1 (0.56) TDP1SMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL23589539 0.85 ALDH1A1 (0.44) TDP1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL5478946 0.84 ALDH1A1 (0.42) TDP1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL23908460 0.81 ALDH1A1 (0.41) TDP1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL8300172 0.78 TDP1 (0.60) TDP1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29229957 0.77 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5501219 0.76 TDP1 (0.42) TDP1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL26263634 0.75 HTR1A (0.51) TDP1TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL29391066 0.75 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL16501188 0.75 MAPT (0.42) TSHRALDH1A1KMT2AKDM4EL3MBTL1

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-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 US disclosed
US-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 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 (2 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-20110294778-A1 HEPATITIS C INHIBITOR COMPOUNDS ABCC1, CTRC, HAVCR2 TDP1 3287/4885TSHR 3288/4885SMN1; SMN2 4586/4885
US-20120077737-A1 HEPATITIS C INHIBITOR COMPOUNDS CTSC, HCCS, CTSZ TDP1 4417/4885TSHR 4427/4885SMN1; SMN2 4817/4885

“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.