SCHEMBL2164853

SCHEMBL2164853

O/N=C\c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
NPFFR2 Q9Y5X5 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.47
G6PC1 P35575 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3225152 1.00 KMT2A (0.58) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL2164856 1.00 KMT2A (0.58) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL17548936 0.83 LMNA (0.49) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL20745432 0.81 SMN1; SMN2 (0.46) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL2164811 0.81 ALDH1A1 (0.46) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL978767 0.81 LMNA (0.47) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL112321 0.81 LMNA (0.47) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL22613823 0.81 SMN1; SMN2 (0.49) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL22613822 0.81 SMN1; SMN2 (0.49) KMT2ANPFFR2NPSR1ALDH1A1LMNA
SCHEMBL2164812 0.81 ALDH1A1 (0.46) KMT2ANPFFR2NPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111957063-B Trapping device and process for 3, 4-dichlorobenzonitrile production 常州新日催化剂股份有限公司 2021-03-26 CN disclosed
CN-111957063-A Trapping device and process for 3, 4-dichlorobenzonitrile production 常州新日催化剂有限公司 2020-11-20 CN disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-3983246-A N-(sulfonyloxy) benzimidoyl halides as bactericidal or fungicidal agents FMC CORPORATION (US) 1976-09-28 US disclosed
US-3941832-A Oxime ethers and pesticidal preparations containing them CIBA-GEIGY AG (CH) 1976-03-02 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 KMT2A 3222/4885NPFFR2 3659/4885NPSR1 1382/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 KMT2A 3222/4885NPFFR2 3659/4885NPSR1 1382/4885

“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.