SCHEMBL2984468

SCHEMBL2984468

CCCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
PKM P14618 1/20 0.58
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13439969 0.88 KMT2A (0.57) TDP1PKMMAPTMAPK1POLB
SCHEMBL7734041 0.88 TDP1 (0.58) TDP1PKMMAPTMAPK1ALDH1A1
SCHEMBL8490992 0.86 TDP1 (0.70) TDP1PKMMAPTMAPK1POLB
SCHEMBL17881359 0.85 TDP1 (0.54) TDP1PKMMAPK1ALDH1A1KMT2A
SCHEMBL14035607 0.85 TDP1 (0.54) TDP1PKMMAPK1ALDH1A1SMN1; SMN2
SCHEMBL12393859 0.85 ADRB2 (0.55) TDP1PKMMAPK1ALDH1A1ADRB2
SCHEMBL7225692 0.84 TDP1 (0.63) TDP1PKMMAPTMAPK1POLB
SCHEMBL9319093 0.84 HTR3A (0.66) TDP1PKMMAPTMAPK1POLB
SCHEMBL13439967 0.83 TDP1 (0.62) TDP1PKMMAPTMAPK1POLB
SCHEMBL31555691 0.83 TDP1 (0.62) TDP1PKMMAPTMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
EP-2181108-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES Boehringer Ingelheim International GmbH (DE) 2010-05-05 EP disclosed
EP-2167465-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Boehringer Ingelheim International GmbH (DE) 2010-03-31 EP disclosed
WO-2008152014-A2 3-HETROCYCLYLIDENE-INDOLINONE DERIVATIVES AS INHIBITORS OF SPECIFIC CELL CYCLE KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TDP1 733/4885PKM 900/4885MAPT 1127/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TDP1 733/4885PKM 900/4885MAPT 1127/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 TDP1 1954/4885PKM 1535/4885MAPT 4348/4885

“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.