SCHEMBL5647147

SCHEMBL5647147

CC(=O)Nc1cccc([N+](=O)[O-])c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
POLB P06746 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 2/20 0.48
PDE7A Q13946 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.45
MAPK13 O15264 1/20 0.45

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
SCHEMBL29740651 0.83 KMT2A (0.69) PKMMEN1KMT2AMAPTNPSR1
SCHEMBL733777 0.83 KMT2A (0.69) PKMMEN1KMT2AMAPTNPSR1
SCHEMBL6789579 0.82 POLB (0.68) PKMPOLBMEN1KMT2AMAPT
SCHEMBL1247252 0.82 PKM (0.56) PKMPOLBMEN1KMT2AMAPT
SCHEMBL11147829 0.82 TDP1 (0.60) PKMPOLBMEN1KMT2AMAPT
Fluoride SCHEMBL28083677 0.81 KMT2A (0.67) PKMMEN1KMT2AMAPTNPSR1
SCHEMBL1637175 0.81 MAPT (0.52) PKMPOLBMEN1KMT2AMAPT
SCHEMBL3120978 0.81 PKM (0.55) PKMPOLBMEN1KMT2AMAPT
SCHEMBL5508098 0.81 MAPT (0.55) PKMPOLBMEN1KMT2AMAPT
SCHEMBL3117649 0.81 PKM (0.55) PKMPOLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 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 (2 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B PKM 3542/4885POLB 64/4885MEN1 2245/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR PKM 3081/4885POLB 3523/4885MEN1 360/4885

“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.