SCHEMBL2616484

SCHEMBL2616484

O=C(c1nnn[nH]1)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNMA1 Q12791 1/20 0.38
P2RX1 P51575 1/20 0.38

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
SCHEMBL2616481 0.82 RECQL (0.51) ALDH1A1KMT2ATSHRSMN1; SMN2MAPT
SCHEMBL10879548 0.80 KMT2A (0.58) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL343076 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1TSHRGAA
SCHEMBL27452003 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1TSHRGAA
SCHEMBL9686296 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1TSHRGAA
SCHEMBL10396627 0.75 ALDH1A1 (0.58) ALDH1A1KMT2AMAPK1TSHRGAA
SCHEMBL29099479 0.73 MAPK1 (0.44) ALDH1A1KMT2AMAPK1TSHRSMN1; SMN2
SCHEMBL15013633 0.73 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1TSHRGAA
SCHEMBL40329 0.73 ALDH1A1 (0.59) ALDH1A1KMT2AMAPK1TSHRGAA
SCHEMBL79163 0.73 DTYMK (0.62) ALDH1A1KMT2AMAPK1TSHRGAA

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-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20120101097-A9 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-04-26 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 US disclosed
US-20110201610-A1 ARYL SULFONAMIDES UNGASHE SOLOMON 2011-08-18 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 (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-20110201610-A1 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 ALDH1A1 1258/4885KMT2A 2610/4885MAPK1 1353/4885
US-20120101097-A9 ARYL SULFONAMIDES CCR2, CCL2, CX3CR1 ALDH1A1 1258/4885KMT2A 2610/4885MAPK1 1353/4885

“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.