SCHEMBL12371183

SCHEMBL12371183

C[C@H](N=C=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACP3 P15309 1/20 0.46
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL17936191 0.82 TSHR (0.53) TSHRLMNAMEN1KMT2AHPGD
SCHEMBL4764153 0.81 TSHR (0.48) TSHRLMNAMEN1KMT2AHPGD
SCHEMBL7192060 0.81 MIF (0.45) LMNAMEN1KMT2AHPGDMAPT
SCHEMBL6196115 0.80 MAPT (0.45) TSHRMEN1KMT2AL3MBTL1ACHE
Methane SCHEMBL7062390 0.79 MIF (0.44) LMNAMEN1KMT2AHPGDMAPT
SCHEMBL254876 0.78 TSHR (0.61) TSHRLMNAMEN1KMT2AHPGD
SCHEMBL13966126 0.77 ACP3 (0.48) TSHRLMNAMEN1KMT2AHPGD
SCHEMBL8790902 0.77 MEN1 (0.60) TSHRLMNAMEN1KMT2AHPGD
SCHEMBL9026172 0.76 TSHR (0.59) TSHRLMNAMEN1KMT2AHPGD
SCHEMBL2545597 0.75 MEN1 (0.61) TSHRLMNAMEN1KMT2AHPGD

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-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
WO-2011079231-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH GATEKEEPER PHARMACEUTICAL, INC. (US) 2011-06-30 WO 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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 TSHR 1739/4885LMNA 2858/4885MEN1 1703/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 TSHR 1739/4885LMNA 2858/4885MEN1 1703/4885

“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.