SCHEMBL10244784

SCHEMBL10244784

N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TMPRSS4 Q9NRS4 1/20 0.56
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
NLRP3 Q96P20 1/20 0.52
VCAM1 P19320 1/20 0.52
P2RX1 P51575 2/20 0.49
AVPR2 P30518 1/20 0.49
GPR27 Q9NS67 1/20 0.49
POLB P06746 1/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
KDR P35968 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1663288 0.84 KCNMA1 (0.60) MEN1KMT2AMAPTP2RX1POLB
SCHEMBL1663714 0.80 MEN1 (0.54) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8488311 0.78 VCAM1 (0.63) MEN1KMT2AMAPTVCAM1
SCHEMBL1662861 0.78 NPC1 (0.58) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6591721 0.77 P2RX1 (0.64) MEN1KMT2AMAPTP2RX1ALDH1A1
SCHEMBL30236947 0.77 MAPT (0.78) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5226448 0.77 MAPT (0.78) MEN1KMT2AMAPTLMNAHTT
SCHEMBL10246421 0.77 MEN1 (0.59) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL1886794 0.75 VCAM1 (0.58) MEN1KMT2AMAPTTSHRVCAM1
SCHEMBL5540980 0.75 VCAM1 (0.59) MEN1KMT2AMAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 MEN1 3294/4885KMT2A 3851/4885TMPRSS4 232/4885

“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.