SCHEMBL287368

SCHEMBL287368

O=C(NNC(=O)C1=CN(CC(=O)c2cc([N+](=O)[O-])cs2)C=CC1)C1=CN(CC(=O)c2cc([N+](=O)[O-])cs2)C=CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.34
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7807381 0.94 MAPT (0.32) MIFMAPTLMNAPOLBALDH1A1
SCHEMBL661855 0.90 LMNA (0.33) MIFMAPTLMNAPOLB
SCHEMBL11213610 0.66 KMT2A (0.49) MIFMAPTLMNAPOLBALDH1A1
SCHEMBL6694136 0.66 ALDH1A1 (0.56) MIFMAPTLMNAPOLBALDH1A1
SCHEMBL1847472 0.62 DAO (0.48) MIFMAPTPOLBALDH1A1KMT2A
SCHEMBL8634167 0.61 MIF (0.46) MIFMAPTLMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8634171 0.61 DAO (0.47) MIFMAPTPOLBALDH1A1KMT2A
SCHEMBL28263654 0.61 SMN1; SMN2 (0.50) MIFMAPTLMNAALDH1A1KMT2A
SCHEMBL2789975 0.61 MAPT (0.48) MIFMAPTLMNAALDH1A1KMT2A
SCHEMBL1844829 0.60 MIF (0.43) MIFMAPTLMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT MIF 1807/4885MAPT 61/4885LMNA 123/4885

“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.