SCHEMBL2474526

SCHEMBL2474526

O=[N+]1Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.38
MAOA P21397 4/20 0.36
CES1 P23141 2/20 0.36
IDO1 P14902 2/20 0.35
CYP2A6 P11509 2/20 0.35
MAOB P27338 3/20 0.33
HTR2C P28335 1/20 0.33
BCHE P06276 1/20 0.33
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACHE P22303 1/20 0.32
NOTUM Q6P988 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7142311 0.82 TSHR (0.42) CYP1A2TSHRMAOACES1CYP2A6
SCHEMBL8466227 0.78 TSHR (0.50) CYP1A2TSHRMAOACES1CYP2A6
SCHEMBL6645873 0.78 MAOA (0.47) CYP1A2MAOACES1CYP2A6MAOB
SCHEMBL195129 0.73 CYP1A2 (0.31) CYP1A2
SCHEMBL312207 0.71 ALOX15 (0.41) AHRPDK2CA12CA9KMT2A
SCHEMBL11897891 0.71 OXTR (0.39) CYP1A2TSHRMAOAMAOBKMT2A
SCHEMBL1538761 0.69 MAOA (0.43) CYP1A2MAOACES1CYP2A6MAOB
SCHEMBL10408023 0.69 MAOA (0.35) CYP1A2TSHRMAOACYP2A6MAOB
SCHEMBL15529001 0.69 TSHR (0.38) CYP1A2TSHRMAOACES1MAOB
SCHEMBL4728144 0.67 MAOA (0.42) CYP1A2TSHRMAOACES1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009906-A1 ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 US claimed
US-4925777-A Direct positives FUJI PHOTO FILM CO., LTD. (JP) 1990-05-15 US claimed
CN-118284692-A Gene editing of PCSK9 or ANGPTL3 and compositions and methods of using same for treating diseases 维乎医疗有限公司 2024-07-02 CN disclosed
WO-2024134657-A1 PYRROLOPYRIDINE AND PYRROLOPYRIDAZINE BASED COMPOUNDS AND USE THEREOF AS PKR INHIBITORS PROTEKT THERAPEUTICS LTD. (IL) 2024-06-27 WO disclosed
US-20220009906-A1 ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 US disclosed
US-9187455-B2 Substituted pyridazines as PDE10A inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-17 US disclosed
EP-2398795-B1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-15 EP disclosed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2398795-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
WO-2010094762-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-4925777-A Direct positives FUJI PHOTO FILM CO., LTD. (JP) 1990-05-15 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A CYP1A2 87/4885TSHR 902/4885MAOA 166/4885
US-20220009906-A1 ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS GRK2, GRK3, GRK4 CYP1A2 1990/4885TSHR 3400/4885MAOA 3821/4885
US-20100216793-A1 HETEROARYL SUBSTITUTED PYRIDAZINONE DERIVATIVES PDE3A, PDE10A, PDE5A CYP1A2 59/4885TSHR 761/4885MAOA 278/4885

“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.