SCHEMBL4121837

SCHEMBL4121837

CN([C@H]1CCNC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.56
SLC6A4 P31645 3/20 0.56
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
ACHE P22303 1/20 0.44
ALOX5AP P20292 4/20 0.43
FEN1 P39748 4/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL2108242 0.92 KMT2A (0.50) SLC6A2SLC6A4KMT2AMEN1ACHE
Hydrochloric Acid SCHEMBL2106951 0.91 KMT2A (0.49) SLC6A2SLC6A4KMT2AMEN1ACHE
SCHEMBL858511 0.90 KMT2A (0.52) SLC6A2SLC6A4KMT2AMEN1ACHE
SCHEMBL2825482 0.85 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL7750057 0.82 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL19898226 0.80 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL19898225 0.80 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL22042598 0.78 KMT2A (0.48) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL31092647 0.78 KMT2A (0.48) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL18675289 0.77 KMT2A (0.47) KMT2AMEN1ACHEALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
US-6867221-B2 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2005-03-15 US disclosed
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 US disclosed
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 US disclosed
US-6395753-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2002-05-28 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 (4 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 SLC6A2 1624/4885SLC6A4 561/4885KMT2A 293/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 SLC6A2 4192/4885SLC6A4 3416/4885KMT2A 2020/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 SLC6A2 4192/4885SLC6A4 3416/4885KMT2A 2020/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 SLC6A2 1601/4885SLC6A4 1128/4885KMT2A 2879/4885

“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.