SCHEMBL1286500

SCHEMBL1286500

C=CCNc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HCAR3 P49019 1/20 0.53
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
HTR6 P50406 2/20 0.42
KAT2B Q92831 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL5405448 0.82 MAPT (0.60) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL22191673 0.82 MAPT (0.60) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL31481963 0.80 MAPT (0.57) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL3512219 0.80 MAPT (0.57) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL9386617 0.79 TDP1 (0.43) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL7129606 0.78 MAPT (0.56) MAPTL3MBTL1KMT2AMEN1HCAR3
SCHEMBL17845498 0.78 ATM (0.51) MAPTTDP1ATMALDH1A1MAPK1
SCHEMBL15322458 0.78 TDP1 (0.51) MAPTL3MBTL1KMT2AMEN1TDP1
SCHEMBL30532042 0.78 ATM (0.51) MAPTTDP1ATMALDH1A1MAPK1
SCHEMBL1344661 0.78 HCAR3 (0.58) MAPTL3MBTL1KMT2AMEN1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
EP-2324830-A1 Process for the preparation of a monocyclic azole derivative that inhibits the interaction of ligands with rage TransTech Pharma Inc. (US) 2011-05-25 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
CN-101613321-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC 2009-12-30 CN disclosed
CN-101597262-A The list and the bicyclic pyrrole derivatives that suppress part and advanced glycation end product acceptor interaction TRANSTECH PHARMA INC (US) 2009-12-09 CN disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed
US-5185025-A SUBSTITUTED PYRAZOLES AND THEIR USE AS HERBICIDES MONSANTO COMPANY (US) 1993-02-09 US disclosed
US-5045106-A 3-phenoxypyrazole MONSANTO COMPANY (US) 1991-09-03 US disclosed
US-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed
EP-0371947-A1 Substituted pyrazoles and their use as herbicides Monsanto Company (US) 1990-06-06 EP 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 526/4885L3MBTL1 4864/4885KMT2A 4844/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 406/4885L3MBTL1 4864/4885KMT2A 4802/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 430/4885L3MBTL1 4861/4885KMT2A 4827/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B MAPT 430/4885L3MBTL1 4861/4885KMT2A 4827/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B MAPT 430/4885L3MBTL1 4861/4885KMT2A 4827/4885

“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.