SCHEMBL2957636

SCHEMBL2957636

CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 6/20 0.50
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ERN1 O75460 1/20 0.48
PDE7A Q13946 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.47
TBXA2R P21731 1/20 0.47
ROCK2 O75116 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2960381 0.88 PDE7A (0.56) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2964888 0.83 L3MBTL1 (0.53) LMNASMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL2960770 0.82 TDP1 (0.58) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2969780 0.82 KMT2A (0.56) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2970392 0.82 KMT2A (0.50) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2966318 0.81 MRGPRX4 (0.67) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2959834 0.81 PDE7A (0.56) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2971646 0.80 LMNA (0.63) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2961589 0.79 PDE7A (0.52) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2021889 0.79 MAPT (0.56) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 LMNA 3252/4885SMN1; SMN2 3135/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 LMNA 3252/4885SMN1; SMN2 3135/4885MEN1 4571/4885

“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.