Sugi Predict

Sugi Predict / Compounds / SCHEMBL2756291

SCHEMBL2756291

SCHEMBL2756291

[2H]N1C(c2ccc(OC)c([N+](=O)[O-])c2)CCC1c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.55
▸ TUBB P07437 2/20 0.55
▸ TUBA3C P0DPH7 2/20 0.55
▸ TUBA1B P68363 2/20 0.55
▸ TUBA4A P68366 2/20 0.55
▸ TUBB4B P68371 2/20 0.55
▸ TUBB3 Q13509 2/20 0.55
▸ TUBB2A Q13885 2/20 0.55
▸ TUBB8 Q3ZCM7 2/20 0.55
▸ TUBA3E Q6PEY2 2/20 0.55
▸ TUBA1A Q71U36 2/20 0.55
▸ TUBA1C Q9BQE3 2/20 0.55
▸ TUBB6 Q9BUF5 2/20 0.55
▸ TUBB2B Q9BVA1 2/20 0.55
▸ TUBB1 Q9H4B7 2/20 0.55
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 10/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL20401788 0.89 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2756376 0.81 ALDH1A1 (0.46) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL2756290 0.78 PKM (0.49) LMNAALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL2756263 0.78 LMNA (0.48) LMNAALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL4575216 0.76 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14865089 0.75 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3045833 0.74 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2756317 0.73 LMNA (0.43) LMNAHTTALDH1A1SMN1; SMN2POLB
SCHEMBL5036292 0.72 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29163181 0.72 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 — — US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 — — US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — 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 (5 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TUBB4A 1187/4885TUBB 1134/4885TUBA3C 839/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TUBB4A 1187/4885TUBB 1134/4885TUBA3C 839/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TUBB4A 1187/4885TUBB 1134/4885TUBA3C 839/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TUBB4A 1187/4885TUBB 1134/4885TUBA3C 839/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TUBB4A 1187/4885TUBB 1134/4885TUBA3C 839/4885

“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.