SCHEMBL7477938

SCHEMBL7477938

CC(=O)N(C)c1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
TSPO P30536 1/20 0.42
TP53 P04637 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HCAR3 P49019 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7486165 0.85 KMT2A (0.47) TSHRALDH1A1TSPOSMN1; SMN2RAB9A
SCHEMBL7475621 0.82 TP53 (0.46) TSHRALDH1A1KDM4EGLATP53
SCHEMBL31110123 0.80 TSHR (0.41) TSHRALDH1A1KDM4EGLATP53
SCHEMBL3930397 0.78 TSPO (0.54) TSHRALDH1A1KDM4EGLATSPO
SCHEMBL3425912 0.78 ALDH1A1 (0.36) TSHRALDH1A1GLATSPOHTT
SCHEMBL1497989 0.77 TSHR (0.60) TSHRALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL4734285 0.76 TSHR (0.56) TSHRALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL30490414 0.75 TSHR (0.58) TSHRALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL27771692 0.75 TSHR (0.58) TSHRALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL28171346 0.75 TSHR (0.58) TSHRALDH1A1KDM4ETP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 US disclosed
EP-2751127-B1 CYCLOSPORIN DERIVATIVES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2016-07-27 EP disclosed
US-20140316104-A1 CYCLOSPORIN DERIVATIVES LEAD DISCOVER CENTER GMBH (DE) 2014-10-23 US disclosed
EP-2751127-A1 CYCLOSPORIN DERIVATIVES Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2014-07-09 EP disclosed
CN-103842372-A Cyclosporin derivatives MAX PLANCK GESELLSCHAFT 2014-06-04 CN disclosed
WO-2013030208-A1 CYCLOSPORIN DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-03-07 WO disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 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-20140316104-A1 CYCLOSPORIN DERIVATIVES CHP1, RYR2, CANX TSHR 4800/4885ALDH1A1 4482/4885KDM4E 3080/4885

“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.