SCHEMBL1653893

SCHEMBL1653893

O=C(Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-])[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SCN4A P35499 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL7978485 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ELANECYP1A2SLC6A2SLC6A4
SCHEMBL3499943 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ELANECYP1A2SLC6A2SLC6A4
SCHEMBL27692446 0.78 MAPT (0.42) GPR35SMN1; SMN2TSHRCYP1A2MAPT
SCHEMBL7982064 0.78 KDM4E (0.39) SMN1; SMN2ELANEMAPTKMT2AALDH1A1
SCHEMBL29157410 0.78 KDM4E (0.33) SCN4ATSHRELANECYP1A2CYP3A4
SCHEMBL3206927 0.74 GPR35 (0.55) GPR35TSHRCYP1A2MAPTKMT2A
SCHEMBL48359 0.74 GPR35 (0.55) GPR35TSHRCYP1A2MAPTKMT2A
SCHEMBL12869701 0.73 ALDH1A1 (0.45) TSHRELANEKMT2AALDH1A1HTT
SCHEMBL11336164 0.73 MAPT (0.41) SMN1; SMN2ELANECYP1A2SLC6A2SLC6A4
SCHEMBL3499945 0.73 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP2D6MAPTKMT2A

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-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 — — US claimed
US-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 — — 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-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto NEU1, DAO, NEU3 GPR35 1726/4885SMN1; SMN2 4685/4885SCN4A 2993/4885

“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