SCHEMBL7380541

SCHEMBL7380541

NNc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
CA1 P00915 1/20 0.56
MMP2 P08253 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 5/20 0.56
HIF1A Q16665 1/20 0.56
VCAM1 P19320 1/20 0.53
HCRTR1 O43613 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4404522 0.85 TDP1 (0.58) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28165237 0.82 TSHR (0.50) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29702837 0.82 TSHR (0.50) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6023486 0.81 LMNA (0.56) LMNAMEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL28375819 0.81 TSHR (0.48) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9717235 0.81 MAPT (0.40) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2137755 0.80 LMNA (0.55) LMNAMEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27844722 0.80 LMNA (0.55) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5523784 0.80 MEN1 (0.67) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7529721 0.79 LMNA (0.54) LMNAMEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 US disclosed
US-8039638-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-18 US disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
US-20100069353-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
WO-2008067644-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 WO disclosed
WO-2000050419-A1 SUBSTITUTED BICYCLIC HETEROCYCLES AND THE USE THEREOF AS THROMBIN INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-08-31 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 (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-20100069353-A1 INHIBITORS OF HIV REPLICATION RTF2, REV1, CCNT1 LMNA 3950/4885MEN1 4246/4885KMT2A 2394/4885

“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.