SCHEMBL1844688

SCHEMBL1844688

Cc1nc([N+](=O)[O-])cn1Cc1ccc(-c2ccccc2Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.57
POLB P06746 1/20 0.48
PKM P14618 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.41
ADORA2A P29274 1/20 0.40
P2RX7 Q99572 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP7 P55210 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
PIN1 Q13526 1/20 0.37

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
SCHEMBL1841212 0.90 SOS1 (0.50) SOS1POLBPKMALDH1A1KMT2A
SCHEMBL11957620 0.82 SOS1 (0.64) SOS1POLBPKMALDH1A1KMT2A
SCHEMBL1844573 0.81 SOS1 (0.59) SOS1POLBPKMKMT2A
SCHEMBL11957617 0.80 SOS1 (0.60) SOS1POLBPKMALDH1A1KMT2A
SCHEMBL1838065 0.79 SOS1 (0.59) SOS1POLBPKMALDH1A1KMT2A
SCHEMBL11957619 0.78 SOS1 (0.58) SOS1POLBPKMALDH1A1KMT2A
SCHEMBL1842102 0.77 IKBKB (0.41) POLBTDP1
SCHEMBL1844372 0.77 LMNA (0.47) ALDH1A1L3MBTL1ITGB1ITGA4
SCHEMBL11957622 0.77 IKBKB (0.40) SOS1POLBADORA2ATDP1
SCHEMBL15497760 0.73 SOS1 (1.00) SOS1POLBPKMALDH1A1KMT2A

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-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US claimed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US claimed
EP-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP claimed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO claimed

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-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS IL1B, LITAF, IL6 SOS1 3516/4885POLB 1587/4885PKM 2479/4885

“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.