SCHEMBL4452101

SCHEMBL4452101

Cc1c(CBr)oc2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
KCNH2 Q12809 1/20 0.47
AHR P35869 6/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NQO1 P15559 1/20 0.40
AKR1B1 P15121 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KMT2A Q03164 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RAB9A P51151 1/20 0.39
ADCY1 Q08828 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4451342 0.83 MCL1 (0.55) MCL1KCNH2AHRALDH1A1LMNA
SCHEMBL11546243 0.79 KCNH2 (0.57) MCL1KCNH2AHRALDH1A1LMNA
SCHEMBL11545978 0.78 MCL1 (0.61) MCL1KCNH2ALDH1A1SMN1; SMN2MAOB
SCHEMBL25824628 0.77 MCL1 (0.56) MCL1KCNH2AHRALDH1A1LMNA
SCHEMBL14409919 0.76 MCL1 (0.59) MCL1KCNH2AHRALDH1A1LMNA
SCHEMBL3752508 0.74 PLK1 (0.43) KCNH2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4449382 0.73 MCL1 (0.56) MCL1KCNH2AHRALDH1A1LMNA
SCHEMBL12248491 0.70 MCL1 (0.53) MCL1KCNH2AHRALDH1A1LMNA
SCHEMBL2282515 0.70 AHR (0.78) MCL1AHRALDH1A1LMNAHPGD
SCHEMBL28196748 0.69 AHR (0.48) MCL1KCNH2AHRALDH1A1LMNA

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-7572910-B2 Pyridazinone aldose reductase inhibitors PFIZER, INC. (US) 2009-08-11 US disclosed
EP-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 EP disclosed
EP-1491540-B1 Intermediates useful for the synthesis of pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2006-12-13 EP disclosed
US-20050113381-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2005-05-26 US disclosed
US-6849629-B2 Heteroaromatic substituted sulfonyl or sulfoxide or thio-pyridazinone derivatives, useful for treating diabetic complications and cardiovascular disorders PFIZER, INC. (US) 2005-02-01 US disclosed
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS MYLARI BANAVARA L (US) 2005-01-06 US disclosed
EP-1373259-B1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PROD INC (US) 2004-12-29 EP disclosed
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 PFIZER INC 2004-10-07 US disclosed
CN-1505514-A Combination of aldose reductase inhibitors with cyclooxygenase-2 inhibitors �Ʒ� 2004-06-16 CN disclosed
EP-1392310-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS Pfizer Products Inc. (US) 2004-03-03 EP disclosed
EP-1373259-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030162784-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2003-08-28 US disclosed
US-6579879-B2 Pyridazinone aldose reductase inhibitors PFIZER INC 2003-06-17 US disclosed
WO-2002087584-A1 COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-11-07 WO disclosed
WO-2002079198-A1 PYRIDAZINONE ALDOSE REDUCTASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-10-10 WO disclosed
US-20020143017-A1 Pyridazinone aldose reductase inhibitors MYLARI BANAVARA L (US) 2002-10-03 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 (5 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-20050113381-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 MCL1 4625/4885KCNH2 593/4885AHR 3095/4885
US-20030162784-A1 Pyridazinone aldose reductase inhibitors SLC5A1, ALDOA, AKR1B1 MCL1 4625/4885KCNH2 593/4885AHR 3095/4885
US-20020143017-A1 Pyridazinone aldose reductase inhibitors SLC5A1, AKR1B1, AKR1D1 MCL1 4705/4885KCNH2 705/4885AHR 2958/4885
US-20050004124-A1 THERAPIES RELATING TO COMBINATIONS OF ALDOSE REDUCTASE INHIBITORS AND CYCLOOXYGENASE-2 INHIBITORS ALDOA, AKR1B1, ALDH2 MCL1 3910/4885KCNH2 2137/4885AHR 2083/4885
US-20040198740-A1 Therapies relating to combinations of aldose reductase inhibitors and cyclooxygenase-2 ALDOA, ALDH2, AKR1B1 MCL1 3931/4885KCNH2 1998/4885AHR 2194/4885

“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.