SCHEMBL6280899

SCHEMBL6280899

O=C1c2ccccc2CC1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.52
METAP1 P53582 4/20 0.44
CYP19A1 P11511 2/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S100A4 P26447 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2215028 0.82 CYP19A1 (0.46) ACHECYP19A1TSHRALDH1A1KDM4E
SCHEMBL9542690 0.71 CREBBP (0.47) TSHRALDH1A1KDM4EMEN1MAPT
SCHEMBL5539639 0.71 ACHE (0.63) ACHEMETAP1CYP19A1TSHRS100A4
SCHEMBL14157895 0.71 ACHE (0.63) ACHEMETAP1CYP19A1TSHRS100A4
SCHEMBL9149487 0.70 HTR2A (0.49) ACHECYP19A1ALDH1A1S100A4KDM4E
SCHEMBL3351414 0.70 SIRT1 (0.39) ACHETSHRALDH1A1MEN1MAPT
SCHEMBL30069509 0.70 SIRT1 (0.39) ACHETSHRALDH1A1MEN1MAPT
SCHEMBL11818087 0.70 ACHE (0.61) ACHEMETAP1CYP19A1TSHRKDM4E
SCHEMBL7939001 0.69 ACHE (0.65) ACHEMETAP1CYP19A1TSHRKDM4E
SCHEMBL9752693 0.68 ACHE (1.00) ACHEMETAP1CYP19A1TSHR

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
US-10954178-B1 Synthesis of haloindenes THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2021-03-23 US disclosed
US-6858610-B2 Potassium channel inhibitors ICAGEN, INC. (US) 2005-02-22 US disclosed
US-6849634-B2 Potassium channel inhibitors ICAGEN (US) 2005-02-01 US disclosed
EP-1345905-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2003-09-24 EP disclosed
US-20030013706-A1 Potassium channel inhibitors ICAGEN 2003-01-16 US disclosed
US-20020161011-A1 Potassium channel inhibitors ICAGEN 2002-10-31 US disclosed
US-6458794-B2 ANTIARRHYTHMIA AGENT, ANTIPROLIFERATIVE AGENT ICAGEN, INC. 2002-10-01 US disclosed
EP-1240147-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2002-09-18 EP disclosed
WO-2002060874-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN INCORPORATED (US) 2002-08-08 WO disclosed
US-20020006929-A1 Potassium channel inhibitors ICAGEN, INC. 2002-01-17 US disclosed
WO-2001046155-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2001-06-28 WO disclosed
US-4569689-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-02-11 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 (3 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-20020161011-A1 Potassium channel inhibitors KCNN2, KCNN1, KCNN3 ACHE 4577/4885METAP1 3570/4885CYP19A1 4288/4885
US-20020006929-A1 Potassium channel inhibitors KCNN2, KCNN1, KCNN3 ACHE 4577/4885METAP1 3570/4885CYP19A1 4288/4885
US-20030013706-A1 Potassium channel inhibitors KCNN2, KCNN1, KCNN3 ACHE 4577/4885METAP1 3570/4885CYP19A1 4288/4885

“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.