SCHEMBL14916973

SCHEMBL14916973

O=C(c1cnccn1)C(C[N+](=O)[O-])C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.37
SMYD3 Q9H7B4 1/20 0.37
NAPRT Q6XQN6 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
POLB P06746 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36

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
SCHEMBL10065512 1.00 MAPT (0.45) MAPTLMNATSHRALDH1A1HPGD
SCHEMBL14916629 0.82 GRM4 (0.46) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL14916628 0.82 GRM4 (0.46) MAPTALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL10064950 0.81 GRM4 (0.45) MAPTLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL14917222 0.81 GRM4 (0.45) MAPTLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL14916838 0.78 CTSS (0.36) TSHRHPGDSMN1; SMN2POLB
SCHEMBL14916839 0.78 CTSS (0.36) TSHRHPGDSMN1; SMN2POLB
SCHEMBL14917140 0.77 P2RX7 (0.38) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL14917141 0.77 P2RX7 (0.38) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL10065055 0.75 GSK3B (0.45) MAPTLMNAALDH1A1KDM4ESMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-09 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-20130116445-A1 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION TIMCC, CYCS, CTRC MAPT 1877/4885LMNA 2114/4885TSHR 2923/4885

“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.