SCHEMBL2928940

SCHEMBL2928940

O=[N+]([O-])c1cccc(-c2cccc(CBr)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.47
PGR P06401 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PYCR1 P32322 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL30833623 0.89 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL189560 0.89 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL6738366 0.83 TSHR (0.76) TSHRLMNAALDH1A1MAPTPGR
SCHEMBL12826413 0.83 TSHR (0.54) TSHRLMNACYP1A2CYP2D6CYP2C9
Dinitrophenylene SCHEMBL27831167 0.82 TSHR (0.63) TSHRLMNACYP1A2CYP2D6CYP2C9
Iodide SCHEMBL28598177 0.81 TSHR (0.73) TSHRLMNAALDH1A1MAPTPGR
SCHEMBL11392466 0.81 TSHR (0.73) TSHRLMNAALDH1A1MAPTPGR
Iodide SCHEMBL30804629 0.81 TSHR (0.73) TSHRLMNAALDH1A1MAPTPGR
SCHEMBL11392461 0.81 TSHR (0.73) TSHRLMNAALDH1A1MAPTPGR
SCHEMBL28471286 0.81 TSHR (0.73) TSHRLMNAALDH1A1MAPTPGR

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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD TSHR 2000/4885LMNA 2796/4885CYP1A2 641/4885

“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.