SCHEMBL1922271

SCHEMBL1922271

Cc1ncc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 2/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.43
AKR1B1 P15121 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SORT1 Q99523 1/20 0.42

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
SCHEMBL12788744 0.86 SMN1; SMN2 (0.46) MAPTALDH1A1HTTTSHRMAPK1
SCHEMBL11720245 0.85 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL21441705 0.85 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL23516690 0.82 MAPT (0.42) MAPTALDH1A1KMT2AHTTTP53
SCHEMBL5593284 0.82 OPRK1 (0.51) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL11719959 0.82 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL11722662 0.82 L3MBTL1 (0.55) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL5593070 0.81 P2RX7 (0.46) MAPTALDH1A1GAAPOLB
SCHEMBL27806946 0.81 MAPT (0.49) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL1818933 0.81 MAPT (0.49) MAPTALDH1A1KMT2AMEN1HTT

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177972-A PARP1 inhibitors and uses thereof 新特拉有限公司 2023-12-05 CN disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
EP-2350052-B1 ANTIPROLIFERATIVE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO disclosed
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 US disclosed
US-20100035891-A1 Pharmaceutically Active Compounds PFIZER INC 2010-02-11 US disclosed
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed
WO-2008088881-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-07-24 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
US-7176311-B2 Process for preparing pharmaceutically active compounds PFIZER INC. (US) 2007-02-13 US disclosed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 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-20100063031-A1 KINASE INHIBITOR COMPOUNDS MAP4K2, MAP3K5, MAP3K15 MAPT 2308/4885ALDH1A1 3853/4885KMT2A 1380/4885
US-20100035891-A1 Pharmaceutically Active Compounds PDE5A, PDE3A, PDE3B MAPT 3997/4885ALDH1A1 758/4885KMT2A 4553/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC MAPT 4006/4885ALDH1A1 2364/4885KMT2A 3283/4885

“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.