SCHEMBL4511467

SCHEMBL4511467

CCOC(=O)C(Cl)=Cc1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 4/20 0.43
NR1H4 Q96RI1 1/20 0.42
CAPN1 P07384 1/20 0.41
CAPN2 P17655 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HSP90AA1 P07900 2/20 0.40
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL4511463 1.00 MAPT (0.50) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL4511458 1.00 MAPT (0.50) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL14499484 0.87 MEN1 (0.53) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL28754819 0.85 CA12 (0.53) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL14727615 0.83 MEN1 (0.72) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5747001 0.83 MEN1 (0.72) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL4803624 0.83 MEN1 (0.72) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3574550 0.82 MAPT (0.55) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL3574546 0.82 MAPT (0.55) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL7900517 0.79 FBP1 (0.53) MAPTMEN1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
EP-1699775-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME Allergan, Inc. (US) 2006-09-13 EP disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 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 (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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 MAPT 4562/4885MEN1 4028/4885KMT2A 3041/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 MAPT 4488/4885MEN1 4459/4885KMT2A 936/4885
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 MAPT 4562/4885MEN1 4028/4885KMT2A 3041/4885

“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.